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1.  Crystal structure of N-(tert-but­oxy­carbon­yl)phenyl­alanylde­hydro­alanine isopropyl ester (Boc–Phe–ΔAla–OiPr) 
In the crystal structure of the de­hydro­dipeptide (Boc-Phe-ΔAla-OiPr), the mol­ecule has a trans configuration of the N-methyl­amide group. Its geometry is different from saturated peptides but is in excellent agreement with other de­hydro­alanine compounds. In the crystal, an N—H⋯O hydrogen bond links the mol­ecules in a herringbone packing arrangement.
In the title compound, the de­hydro­dipeptide (Boc–Phe–ΔAla–OiPr, C20H28N2O5), the mol­ecule has a trans conformation of the N-methyl­amide group. The geometry of the de­hydro­alanine moiety is to some extent different from those usually found in simple peptides, indicating conjugation between the H2C=C group and the peptide bond. The bond angles around de­hydro­alanine have unusually high values due to the steric hindrance, the same inter­action influencing the slight distortion from planarity of the de­hydro­alanine. The mol­ecule is stabilized by intra­molecular inter­actions between the isopropyl group and the N atoms of the peptide main chain. In the crystal, an N—H⋯O hydrogen bond links the mol­ecules into ribbons, giving a herringbone head-to-head packing arrangement extending along the [100] direction. In the stacks, the mol­ecules are linked by weak C—H⋯O hydrogen-bonding associations.
doi:10.1107/S1600536814025197
PMCID: PMC4257372  PMID: 25553003
crystal structure; de­hydro peptides; α,β-de­hydro­amino acids; de­hydro­alanine; herringbone packing
2.  Crystal structure of the inter­metallic compound SrCdPt 
The title compound crystallizes in the TiNiSi structure type in the space group Pnma. St atoms are bonded to each other, forming six-membered rings with chair conformation whilst Pt atoms form zigzag chains of cadmium-centred tetra­hedra, building up the three-dimensional network.
The crystal structure of the title compound, strontium cadmium platinum, adopts the TiNiSi structure type with the Sr atoms on the Ti, the Cd atoms on the Ni and the Pt atoms on the Si positions, respectively. The Pt atoms form cadmium-centred tetra­hedra that are condensed into a three-dimensional network with channels parallel to the b-axis direction in which the Sr atoms are located. The latter are bonded to each other in the form of six-membered rings with chair conformations. All atoms in the SrCdPt structure are situated on a mirror plane.
doi:10.1107/S1600536814025823
PMCID: PMC4257373  PMID: 25553000
crystal structure; TiNiSi structure type; six-membered rings of strontium; inter­metallic compound
3.  Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2 N,N′]rhenium(I) 
In this rhenium carbonyl complex of 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole, the ReI atom has a distorted octa­hedral coordination environment. Mutual N—H⋯Br hydrogen bonds arrange the mol­ecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H⋯O and C—H⋯Br hydrogen bonds, as well as by slipped π–π stacking inter­actions.
In the title compound, [ReBr(C13H10N4)(CO)3], the ReI atom has a distorted octa­hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the ReI atom. Mutual N—H⋯Br hydrogen bonds arrange mol­ecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H⋯O and C—H⋯Br hydrogen bonds, as well as by slipped π–π stacking inter­actions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.
doi:10.1107/S1600536814025604
PMCID: PMC4257395  PMID: 25552999
Crystal structure; rhenium carbonyl complex; 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole; hydrogen bonding; slipped π–π stacking inter­actions
4.  Crystal structure of 3-amino-1-propyl­pyridinium bromide 
The title mol­ecular salt crystallizes with two independent 3-amino­pyridinium cations and two bromide anions in the asymmetric unit. In the crystal, the anions and cations are linked via N—H⋯Br and C—H⋯Br hydrogen bonds, forming chains propagating along [100].
The title mol­ecular salt, C8H13N2 +·Br−, crystallizes with two independent 3-amino­pyridinium cations and two bromide anions in the asymmetric unit (Z′ = 2). In the pyridine ring, the N atom is alkyl­ated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cation A, whereas the corresponding angle is 89.23 (2)° in cation B. In the crystal, the anions and cations are linked via N—H⋯Br and C—H⋯Br hydrogen bonds, forming chains propagating along [100].
doi:10.1107/S1600536814025665
PMCID: PMC4257424  PMID: 25552997
crystal structure; mol­ecular salt; pyridinium salt; N—H⋯Br hydrogen bonds; C—H⋯Br hydrogen bonds
5.  Crystal structure of 1-(piperidin-1-yl)butane-1,3-dione 
In the title compound, C9H15NO2, the piperidine ring exhibits a chair conformation. The butane­dione subunit exhibits a conformation with the ketone C atom in an eclipsed position with respect to the amide carbonyl group. In the crystal, a two-dimensional layered arrangement is formed by hydrogen bonds of the C—H⋯O type between the methyl group and the exocyclic methyl­ene unit as donor sites and the amide carbonyl O atom as the acceptor of a bifurcated hydrogen bond. These layers are oriented parallel to the ab plane.
doi:10.1107/S1600536814025768
PMCID: PMC4257425  PMID: 25553056
crystal structure; 1-(piperidin-1-yl)butane-1,3-dione; weak hydrogen bonding
6.  Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)(Z)ΔAla–OMe] 
In a de­hydro­amino acid with a C=C bond between the α- and β-C atoms, the amino acid residues are linked trans to each other and there are no strong intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule.
The title compound, C11H17BrN2O5, is a de­hydro­amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule. The dipeptide folding is influenced by an inter­molecular N—H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol­ecules are linked by strong N—H⋯O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C—H⋯O and C—H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter­actions.
doi:10.1107/S1600536814025677
PMCID: PMC4257433  PMID: 25553002
crystal structure; β-bromo­dehydro­alanine; de­hydro­amino acid; non-helical conformation; hydrogen bonding
7.  Crystal structure of 2-hy­droxy­imino-2-(pyridin-2-yl)-N′-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide 
The mol­ecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, mol­ecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).
The mol­ecule of the title compound, C14H13N5O2, is approximately planar (r.m.s deviation for all non-H atoms = 0.093 Å), with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. The oxime group is syn to the amide group, probably due to the formation of an intra­molecular N—H⋯N hydrogen bond that forms an S(6) ring motif. In the crystal, mol­ecules are linked by pairs of bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers. The latter are linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502). The sheets are linked via π–π stacking inter­actions [inter-centroid distance = 3.7588 (9) Å], involving the pyridine rings of inversion-related mol­ecules, forming a three-dimensional structure.
doi:10.1107/S1600536814025793
PMCID: PMC4257442  PMID: 25552998
crystal structure; hy­droxy­imino; acetohydrazide; pyridyl­ethyl­idene; hydrogen bonding; π–π stacking inter­actions
8.  Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra­hydro­pyrazolo­[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl­ate 
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intra­molecular C—H⋯π inter­action involving the tosyl­ate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π–π inter­actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014 ▶). Eur. J. Org. Chem. pp. 1505–1513].
doi:10.1107/S160053681402515X
PMCID: PMC4257454  PMID: 25553055
crystal structure; sulfonamide; C—H⋯π inter­actions; Thrope–Ingold effect
9.  Crystal structure of dimethyl 3,3′-[(3-fluoro­phenyl)methyl­ene]bis­(1H-indole-2-carboxyl­ate) 
In the title compound, the two indole ring systems are approximately perpendicular to one another, making a dihedral angle of 87.8 (5)°. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into the inversion dimers, which are further linked by N—H⋯O hydrogen bonds into supra­molecular chains propagating along the b-axis direction.
In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic­ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into the inversion dimers, which are further linked by N—H⋯O hydrogen bonds into supra­molecular chains propagating along the b-axis direction. Weak C—H⋯π inter­actions are observed between neighbouring chains.
doi:10.1107/S1600536814025756
PMCID: PMC4257463  PMID: 25553001
crystal structure; indole; MRI contrast agent; N—H⋯O hydrogen bonds; C—H⋯π inter­actions
10.  Crystal structure of (Z)-1-(ferrocenylethyn­yl)-10-(phenyl­imino)­anthracen-9(10H)-one from synchrotron X-ray powder diffraction 
In a ferrocen­yl–anthracen-9(10H)-one compound that has been designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo­penta­dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation.
In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo­penta­dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, mol­ecules are paired into inversion dimers via π–π inter­actions. Weak inter­molecular C—H⋯π inter­actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.
doi:10.1107/S1600536814025252
PMCID: PMC4257377  PMID: 25552995
structure determination; powder diffraction; synchrotron radiation; D–A conjugated complex; ferrocen­yl–anthracen-9(10H)-one; π–π inter­actions; C—H⋯π inter­actions
11.  Crystal structure of (Z)-3-benz­yloxy-6-[(2-hy­droxy­anilino)methyl­idene]cyclo­hexa-2,4-dien-1-one 
In the title compound, C20H17NO3, the methyl­idene­cyclo­hexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hy­droxy­benzene rings, respectively. The amino group links with the carbonyl O atom via an intra­molecular N—H⋯O hydrogen bond, forming an S(6) ring motif. In the crystal, the mol­ecules are linked by O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional supra­molecular architecture.
doi:10.1107/S1600536814024568
PMCID: PMC4257387  PMID: 25553053
crystal structure; pharmaceutical applications; industrial applications; azomethines; hydro­philicity; drug properties; hydrogen bonding; C—H⋯π inter­actions
12.  Crystal structure of 2-(di­phenyl­phos­phanyl)phenyl 4-(hy­droxy­meth­yl)benzoate 
The title compound, C26H21O3P, was obtained as by-product due to the hydrolysis of the desired tosyl­ated compound. The dihedral angles between the three aromatic rings attached to the P atom lie in the range 78.1 (1)–87.6 (1)°. The hy­droxy­methyl group is disordered between two conformations in a 0.719 (9):0.281 (9) ratio. The hy­droxy H atom is not involved in inter­molecular inter­actions, while the hy­droxy O atom serves as a donor for weak C—H⋯O hydrogen bonds, which link the mol­ecules into chains propagating in [0-11].
doi:10.1107/S1600536814024623
PMCID: PMC4257391  PMID: 25553051
crystal structure; benzoate functionalized 2-(di­phenyl­phosphano)phenol derivative; hydrogen bonding
13.  Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate 
In the title mol­ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C—O—C—C = −175.4 (3)°]. In the crystal, the only directional inter­actions are very weak C—H ⋯π inter­actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.
doi:10.1107/S1600536814025100
PMCID: PMC4257449  PMID: 25553050
crystal structure; ester; pyrazole derivative
14.  Crystal structure of [Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O 
In the crystal structure of a hexa­nuclear Y3+ compound, the six Y3+ cations are arranged octa­hedrally around an μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa­hedron is capped by an μ3-OH group in the form of a distorted cube. The proximity of the cationic complexes and lattice water mol­ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.
The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa­kis­[tetra­aqua­yttrium(III)] octa­iodide octa­hydrate}, is characterized by the presence of the centrosymmetric mol­ecular entity [Y6(μ6-O)(μ3-OH)8(H2O)24]8+, in which the six Y3+ cations are arranged octa­hedrally around a μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa­hedron is capped by an μ3-OH group in the form of a distorted cube. In the hexa­nuclear entity, the Y3+ cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol­ecules. The resulting coordination sphere of the metal ions is a capped square-anti­prism. The crystal packing is quite similar to that of the ortho­rhom­bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La—Nd, Eu—Tb, Dy, except that the title compound exhibits a slight monoclinic distortion. The proximity of the cationic complexes and the lattice water mol­ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.
doi:10.1107/S1600536814025434
PMCID: PMC4257455  PMID: 25552996
crystal structure; hexa­nuclear compounds; lanthanide compound; three-dimensional hydrogen-bonded network
15.  Crystal structure of bis­(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate 
The title compound, 2C9H9N3·HClO4, was prepared by reaction of 1-benzyl-1H-1,2,4-triazole and HClO4 in ethanol at room temperature. The asymmetric unit consists of two mol­ecules of 1-benzyl-1H-1,2,4-triazole and one of HClO4 mol­ecule. The benzene and triazole rings make dihedral angles of 85.45 (8) and 84.76 (8)° in the two mol­ecules. The H-atom position of the perchloric acid mol­ecule is split over two O atoms (real peaks on difference map), with site-occupation factors of 0.5. These H atoms form two classical hydrogen bonds [2.546 (5) and 2.620 (4) Å] with the same N atoms in both mol­ecules. Five inter­molecular non-classical C—H⋯O inter­actions, with C⋯O distances in the range 3.147 (5)–3.483 (5) Å, are found in the crystal structure.
doi:10.1107/S1600536814024829
PMCID: PMC4257456  PMID: 25553052
crystal structure; 1H-1,2,4-triazole; perchloric acid; anti­viral activity
16.  Crystal structure of 4-amino-1-(4-methyl­benz­yl)pyridinium bromide 
The title mol­ecular salt, C13H15N2 +·Br−, crystallized with two independent ion pairs (A and B) in the asymmetric unit. In the cations, the planes of the pyridine and benzene rings are inclined to one another by 79.32 (8) and 82.30 (10)° in ion pairs A and B, respectively. In the crystal, the anions and cations are connected by N—H⋯Br hydrogen bonds, forming a centrosymmetric tetra­mer-like unit enclosing an R 8 4(16) ring motif. These units are linked via C—H⋯Br hydrogen bonds, forming a three-dimensional network.
doi:10.1107/S1600536814025343
PMCID: PMC4257457  PMID: 25553054
crystal structure; mol­ecular salt; pyridinium; bromide; hydrogen bonding
17.  Crystal structure of 4-meth­oxy­quinazoline 
The title compound, C9H8N2O, is almost planar, with the C atom of the meth­oxy group deviating from the mean plane of the quinazoline ring system (r.m.s. deviation = 0.011 Å) by 0.068 (4) Å. In the crystal, mol­ecules form π–π stacks parallel to the b-axis direction [centroid–centroid separation = 3.5140 (18) Å], leading to a herringbone packing arrangement.
doi:10.1107/S1600536814025082
PMCID: PMC4257374  PMID: 25553044
crystal structure; 4-meth­oxy­quinazoline; quinazoline derivatives; π–π stacks; herringbone packing
18.  Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-di­bromo-8-oxo-1-oxa­spiro­[4.5]deca-2,6,9-triene-3-car­boxyl­ate 
The title compound, C18H12Br2O6, was synthesized from Morita–Baylis–Hillman adducts. It incorporates the bromin­ated spiro-hexa­dienone moiety typically exhibited by compounds of this class that exhibit biological activity. Both the brominated cyclo­hexa­dienone and the central five-membered rings are nearly planar (r.m.s. deviations of 0.044 and 0.016 Å, respectively), being almost perpendicularly oriented [inter­planar angle = 89.47 (5)°]. With respect to the central five-membered ring, the brominated cyclo­hexa­dienone ring, the benzodioxol ring and the carboxyl­ate fragment make C—O—C—C, O—C—C—C and C—C—C—O dihedral angles of −122.11 (8), −27.20 (11) and −8.40 (12)°, respectively. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked by non-classical C—H⋯O and C—H⋯Br hydrogen bonds resulting in a molecular packing in which the brominated rings are in a head-to-head orientation, forming well marked planes parallel to the b axis.
doi:10.1107/S1600536814024763
PMCID: PMC4257376  PMID: 25553042
Single-crystal X-ray study; spiro-hexa­dienone structure; Morita–Baylis–Hillman adducts
19.  Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate 
In the title hydrated mol­ecular salt, C8H12N+·C6H4NO3 −·H2O, the conformation of the side chain in the cation is anti [C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating (10-1) sheets, which feature R 4 4(21) loops. The sheets inter­act by weak aromatic π–π stacking inter­actions [centroid–centroid distance = 3.896 (3) Å], forming a three-dimensional network.
doi:10.1107/S1600536814025318
PMCID: PMC4257380  PMID: 25553045
crystal structure; 2-phenyl­ethyl­aminium; 4-nitro­phenolate; hydrated salt; O—H⋯O and N—H⋯O hydrogen bonds; π–π stacking inter­actions
20.  Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine 
The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol­ecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067 Å). Atoms attached to the pendent Csp 3—S bond are arranged in a staggered conformation with one of the Cl atoms anti to the C atom in the aromatic ring [C—S—C—Cl torsion angles = 178.41 (11) and −176.70 (13)°]. In the crystal, mol­ecules are linked by C—H⋯N and C—H⋯O hydrogen bonds, generating a three-dimensional network, and weak aromatic π–π stacking is also observed [centroid–centroid separation = 3.8902 (17) Å].
doi:10.1107/S1600536814025148
PMCID: PMC4257385  PMID: 25553040
crystal structure; sulfone; pyridine derivative; hydrogen bonding; π–π stacking
21.  Crystal structures of three lead(II) acetate-bridged di­amino­benzene coordination polymers 
The structures of three lead(II) coordination polymers are reported. One exhibits a two-dimensional structure, whereas the other two are one-dimensional. All three exhibit bidentate bridging acetate and monodentate benzene-1,2-di­amine ligands. The extended structures reveal extensive hydrogen-bonding networks involving the di­amine and acetate ligands.
Poly[tris­(acetato-κ2 O,O′)(μ2-acetato-κ3 O,O′:O)tetra­kis­(μ3-acetato-κ4 O,O′:O:O′)bis­(benzene-1,2-di­amine-κN)tetra­lead(II)], [Pb4(CH3COO)8(C6H8N2)2]n, (I), poly[(acetato-κ2 O,O′)(μ3-acetato-κ4 O,O′:O:O′)(4-chloro­benzene-1,2-diamine-κN)lead(II)], [Pb(CH3COO)2(C6H7ClN2)]n, (II), and poly[(κ2 O,O′)(μ3-acetato-κ4 O,O′:O:O′)(3,4-di­amino­benzo­nitrile-κN)lead(II)], [Pb(CH3COO)2(C7H7N3)]n, (III), have polymeric structures in which monomeric units are joined by bridging acetate ligands. All of the PbII ions exhibit hemidirected coordination. The repeating unit in (I) is composed of four PbII ions having O6, O6N, O7 and O6N coordination spheres, respectively, where N represents a monodentate benzene-1,2-di­amine ligand and O acetate O atoms. Chains along [010] are joined by bridging acetate ligands to form planes parallel to (10-1). (II) and (III) are isotypic and have one PbII ion in the asymmetric unit that has an O6N coordination sphere. Pb2O2 units result from a symmetry-imposed inversion center. Polymeric chains parallel to [100] exhibit hydrogen bonding between the amine and acetate ligands. In (III), additional hydrogen bonds between cyano groups and non-coordinating amines join the chains by forming R 2 2(14) rings.
doi:10.1107/S1600536814025380
PMCID: PMC4257386  PMID: 25552994
crystal structure; coordination polymer; lead(II); hydrogen bonds; benzene-1,2-di­amine; hemidirected coordination
22.  Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol 
The title compound, C20H42O3S2Si, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo­tetrads with a 1,3-di­thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di­thiane ring adopts a chair conformation, while the rest of each mol­ecule displays a common zigzag conformation. There is an intra­molecular O—H⋯O hydrogen bond in each mol­ecule. In the crystal, the A and B mol­ecules are linked via O—H⋯O hydrogen bonds, forming –A–B–A--B-- chains along [010]. The absolute structure was determined by resonant scattering (anomalous scattering) [Flack parameter = 0.035 (8)].
doi:10.1107/S160053681402443X
PMCID: PMC4257393  PMID: 25553049
crystal structure; polypropionate; stereo­tetra­ds; 1,3-di­thiane
23.  Crystal structure of 9-butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole 
In the title carbazole derivative, C32H32N2, the mol­ecule resides on a crystallographic twofold axis, which runs through the central C—C bond. The carbazole ring system is almost planar, with a maximum deviation of 0.041 (1) Å for one of the ring-junction C atoms. The crystal packing is stabilized by C—H⋯π inter­actions only, which form a C(7) chain-like arrangement along [110] in the unit cell.
doi:10.1107/S1600536814025367
PMCID: PMC4257394  PMID: 25553048
crystal structure; carbazole derivatives; C—H⋯π inter­actions
24.  Crystal structure of di-μ-iodido-bis­[(dimethyl sulfoxide-κO)(tri­phenyl­phosphane-κP)copper(I)] 
The basic building unit of the title complex, CuI(DMSO)(PPh3), reproduced by a symmetry centre, leads to the rhomboid dimers in which the CuI atoms are in a tetra­hedral geometry. The dimers are discrete mol­ecules, but through weak inter­molecular C—H⋯O inter­actions involving two adjacent DMSO ligands, a one-dimensional chain assembly is formed.
The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated CuI atoms are bridged by two μ2-iodido ligands in an almost symmetrical rhomboid geometry. The loose Cu⋯Cu contact of 2.9874 (8) Å is longer than the sum of the van der Waals radii of two Cu atoms (2.8 Å), excluding a significant cupriophilic inter­action in the actual dimer. C—H⋯O and C—H⋯I hydrogen bonding interactions as well as C—H⋯π(aryl) interactions stabilize the three-dimensional supramolecular network.
doi:10.1107/S1600536814025203
PMCID: PMC4257398  PMID: 25552989
crystal structure; dinuclear CuI complexes; iodide bridges; tri­phenyl­phosphane; DMSO
25.  Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate 
The crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate exhibits a one-dimensional hydrogen-bond motif consisting of (12) rings joined at water mol­ecules located on a twofold rotation axis.
In the title hydrate, C12H12O4·1.5H2O, one of the water mol­ecules in the asymmetric unit is located on a twofold rotation axis. The mol­ecule of the benzo­furan derivative is essentially planar (r.m.s. deviation for the non-H atoms = 0.021 Å), with the ester group adopting a fully extended conformation. In the crystal, O—H⋯O hydrogen bonds between the water mol­ecules and the hy­droxy groups generate a centrosymmetric R 6 6(12) ring motif. These R 6 6(12) rings are fused, forming a one-dimensional motif extending along the c-axis direction.
doi:10.1107/S1600536814024349
PMCID: PMC4257409  PMID: 25552987
crystal structure; hydrates; O—H⋯O hydrogen bonds; C—H⋯π inter­actions; benzo­furan

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