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1.  Crystal structure of (E)-2-{[(4-anilinophen­yl)imino]­meth­yl}phenol 
The title compound crystallized with two independent mol­ecules (A and B) in the asymmetric unit, which differ essentially in the orientation of the terminal amino­phenyl ring with respect to the central benzene ring. In the crystal, mol­ecules are linked via N—H⋯O hydrogen bonds forming –A-B–A–B– zigzag chains propagating along [010].
The title compound, C19H16N2O, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. There is an intra­molecular O—H⋯N hydrogen bond in each mol­ecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in mol­ecules A and B, respectively. The conformation of the two mol­ecules differs essentially in the orientation of the terminal amino­phenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in mol­ecule A and 54.61 (14)° in mol­ecule B. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in mol­ecules A and B, respectively. In the crystal, mol­ecules are connected by N—H⋯O hydrogen bonds generating –A-B–A–B– zigzag chains extending along [010]. The chains are linked via C—H⋯π inter­actions involving neighbouring A mol­ecules, forming slabs lying parallel to (100).
PMCID: PMC4331856
crystal structure; N-phenyl-p-phenyl­enedi­amine; salicyladehyde; PAIMP; Schiff base; hydrogen bonding
2.  Crystal structure of the coordination polymer [FeIII 2{PtII(CN)4}3] 
The title complex, poly[dodeca-μ-cyanido-diiron(III)triplat­inum(II)], [FeIII 2{PtII(CN)4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN)4]2− anions (point group symmetry 2/m) bridging cationic [FeIIIPtII(CN)4]+ ∞ layers extending in the bc plane. The FeII atoms of the layers are located on inversion centres and exhibit an octa­hedral coordination sphere defined by six N atoms of cyanide ligands, while the PtII atoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octa­hedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN)4]+ ∞ layers corresponds to the length a/2 = 8.0070 (3) Å, and the separation between two neighbouring PtII atoms of the bridging [PtII(CN)4]2− groups corresponds to the length of the c axis [7.5720 (2) Å]. The structure is porous with accessible voids of 390 Å3 per unit cell.
PMCID: PMC4331858
crystal structure; polycyanidometalate; spin-crossover
3.  Crystal structure of 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium dibromide 
The title salt, C12H10BrN3O2+·2Br−, was synthesized from the reaction of N 1,N 4-bis­(pyridin-2-yl­methyl­idene)benzene-1,4-di­amine and bromine in a methanol solution. All non-H atoms of the 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium cation are nearly coplanar, the maximum deviation being 0.114 (4) Å. In the crystal, the cations and anions are linked through N—H⋯Br hydrogen bonds and weak C—H⋯Br inter­actions, forming a three-dimensional supra­molecular architecture. A short Br⋯Br contact [3.3088 (9) Å] is observed in the crystal.
PMCID: PMC4331889
crystal structure; bromide; pyrido[1,2-a]quinoxalin-11-ium; C—H⋯Br inter­actions
4.  Crystal structure of meso-tetra­kis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate 
The porphyrin core of the title centrosymmetric compound, C44H26N8O8·2C6H5NO2, is approximately planar, the maximum deviation being 0.069 (3) Å. The planes of the benzene rings of the nitro­phenyl substituents are almost perpendicular to the porphyrin mean plane, making dihedral angles of 73.89 (9) and 89.24 (9)°. The two pyrrole ring H atoms are equally disordered over the four pyrrole ring N atoms. In the crystal, weak C—H⋯O and C—H⋯N hydrogen bonds link the porphyrin mol­ecules into a three-dimensional supra­molecular network. The nitro­benzene solvent mol­ecules are linked by weak C—H⋯O hydrogen bonds into supra­molecular chains propagating along the a-axis direction.
PMCID: PMC4257332  PMID: 25484793
crystal structure; porphyrins; hydrogen bonding; supra­molecular chains
5.  (2,2′-Bi­pyridine-κ2 N,N′)tetra­kis­(dimethyl sulfoxide-κO)copper(II) bis­(perchlorate) 
The title compound, [Cu(C2H6OS)4(C10H8N2)](ClO4)2, contains a CuII ion with a distorted octa­hedral coordination environment, bonded by four O atoms of the monodentate dimethyl sulfoxide ligands and two N atoms of the bidentate chelating 2,2′-bi­pyridine ligand. The equatorial Cu—N and Cu—O bond lengths are in the range 1.979 (2)-1.998 (3) Å. The axial Cu—O bond distances are 2.365 (2) and 2.394 (2) Å. In the crystal, the complex cations and perchlorate anions are connected by numerous C—H⋯O hydrogen bonds, which leads to additional stabilization of the structure. The perchlorate anion is disordered over two sets of sites with a 0.716 (3):0.284 (3) occupancy ratio.
PMCID: PMC3793687  PMID: 24109274
6.  (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxyl­ato)bis­(1,10-phenanthroline)nickel(II) 3.5-hydrate 
The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water mol­ecules. One of the water mol­ecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of NiII has a slightly distorted octa­hedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxyl­ate and two N,N′-chelating phenanthroline mol­ecules. In the crystal, O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds involving the solvent water mol­ecules and pyrazole-5-carboxyl­ate ligands form layers parallel to the ab plane. These layers are linked further via weak π–π inter­actions between two adjacent phenanthroline mol­ecules, with centroid-to-centroid distances in the range 3.886 (2)–4.018 (1) Å, together with C—H⋯π contacts, forming a three-dimensional network.
PMCID: PMC3772441  PMID: 24046584
7.  Bis(2,2′-bipyridyl-κ2 N,N′)(sulfato-κ2 O,O′)nickel(II) 2.5-hydrate 
The title compound, [Ni(SO4)(C10H8N2)2]·2.5H2O, is a nickel(II) complex with a distorted octa­hedral coordination geometry. The NiII atom is bonded by two O atoms of the bidentate chelating sulfate ligand and the four N atoms of two chelating 2,2′-bi­pyridine ligands. The Ni—N bond lengths range from 2.059 (3) to 2.075 (3) Å and the Ni—O bond lengths are 2.098 (3) and 2.123 (3) Å. The bipyridyl ligands are both close to planar (r.m.s. deviations of 0.254 and 0.0572 Å) and are almost orthogonal, making a dihedral angle of 82.77 (1)°. In the crystal, the complex and water mol­ecules are connected by O—H⋯O hydrogen bonds. Inter­estingly, six water mol­ecules form a chain linking two complex mol­ecules via sulfate O atoms. There are also stacking inter­actions between the aromatic rings of neighbouring 2,2′-bi­pyridine ligands with shortest non-covalent contacts of 3.268 (6), 3.393 (6) and 3.435 (5) Å. One of the three unique water molecules shows half-occupation.
PMCID: PMC3684905  PMID: 23795007
8.  [Di­aqua­sesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)]-μ-{bis­[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide}-[tri­aqua­(perchlorato-κO)copper(II)] nitrate monohydrate 
In the binuclear title complex, [Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5]NO3·H2O, both CuII ions are hexa­coordinated by O and N atoms, thus forming axially elongated CuO4N2 octa­hedra. The equatorial plane of each octa­hedron is formed by one chelating pyrazole–pyridine fragment of the organic ligand and two water mol­ecules. The axial positions in one octa­hedron are occupied by a water mol­ecule and a monodentately coordinated perchlorate anion, while those in the other are occupied by a nitrate anion and a disordered perchlorate/nitrate anion with equal site occupancy. The pyrazole–pyridine units of the organic selenide are trans-oriented to each other with a C—Se—C angle of 96.01 (14)°. In the crystal, uncoordinated nitrate anions and the coordinating water mol­ecules are involved in O—H⋯O and N—H⋯O hydrogen bonds, forming a bridge between the pyrazole group and the coordinating water mol­ecules. Further O—H⋯O hydrogen bonds between the complex mol­ecules and a π–π stacking inter­action with a centroid–centroid distance of 3.834 (4) Å are also observed.
PMCID: PMC3684879  PMID: 23794981
9.  [Aqua­bis­(nitrato-κO)copper(II)]-μ-{bis­[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl]selenide}-[diaqua­(nitrato-κO)copper(II)] nitrate monohydrate 
In the title binuclear complex, [Cu2(NO3)3(C18H16N6Se)(H2O)3]NO3·H2O, the CuII ions are penta­coordinated in a tetra­gonal–pyramidal geometry. In both cases, the equatorial planes are formed by a chelating pyrazole-pyridine group, a water mol­ecule and a nitrate O atom, whereas the apical positions are occupied by a water mol­ecule for one CuII ion and a nitrate O atom for the other. The organic selenide ligand adopts a trans configuration with respect to the C–Se–C plane. Numerous inter­molecular O—H⋯O and N—H⋯O hydrogen bonds between the coordinating and lattice water mol­ecules, nitrate anions and pyrazole groups are observed. π–π stacking inter­actions between the pyridine rings [averaged centroid–centroid distance = 3.652 (5) Å] are also present. The lattice water molecule is equally disordered over two sets of sites.
PMCID: PMC3588734  PMID: 23468699
10.  (3-Acetyl-5-carboxyl­ato-4-methyl-1H-pyrazol-1-ido-κ2 N 1,O 5)aqua­[(pyridin-2-yl)methanamine-κ2 N,N′]copper(II) 
In the title compound, [Cu(C7H6N2O3)(C6H8N2)(H2O)], the CuII ion is in a distorted square-pyramidal N3O2 environment formed by two bidentate chelating ligands in the equatorial coordination sites and one water mol­ecule in the apical direction. In the crystal, O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds link the complex mol­ecules into a three-dimensional supra­molecular network.
PMCID: PMC3588718  PMID: 23468683
11.  Tris(2,2′-bipyridine-κ2 N,N′)cobalt(III) bis­[bis­(pyridine-2,6-dicarboxyl­ato-κ3 O 2,N,O 6)cobaltate(III)] perchlorate dimethyl­formamide hemisolvate 1.3-hydrate 
In the title compound, [Co(C10H8N2)3][Co(C7H3NO4)2]2(ClO4)·0.5C3H7NO·1.3H2O, the CoIII atom in the complex cation is pseudoocta­hedrally coordinated by six N atoms of three chelating bipyridine ligands. The CoIII atom in the complex anion is coordinated by two pyridine N atoms and four carboxyl­ate O atoms of two doubly deprotonated pyridine-2,6-dicarboxyl­ate ligands in a distorted octa­hedral geometry. One dimethyl­formamide solvent mol­ecule and two water mol­ecules are half-occupied and one water mol­ecule is 0.3-occupied. O—H⋯O hydrogen bonds link the water mol­ecules, the perchlorate anions and the complex anions. π–π inter­actions between the pyridine rings of the complex anions are also observed [centroid–centroid distance = 3.804 (3) Å].
PMCID: PMC3470129  PMID: 23125573
12.  cis-Bis(2,2′-bipyridine-κ2 N,N′)bis­(dimethyl sulfoxide-κO)zinc bis­(tetra­phenyl­borate) dimethyl sulfoxide monosolvate 
In the mononuclear title complex, [Zn(C10H8N2)2(C2H6OS)2](C24H20B)2·C2H6OS, the ZnII ion is coordinated by four N atoms of two bidentate 2,2′-bipyridine mol­ecules and by the O atoms of two cis-disposed dimethyl sulfoxide mol­ecules in a distorted octa­hedral geometry. The S atom and the methyl groups of one of the coordinated dimethyl sulfoxide mol­ecules are disordered in a 0.509 (2):0.491 (2) ratio. The crystal packing is stabilized by C—H⋯O hydrogen bonds between the dimethyl sulfoxide solvent mol­ecules and tetra­phenyl­borate anions.
PMCID: PMC3238690  PMID: 22199567
13.  3,5-Dimethyl-4-nitroso-1H-pyrazole 
In the unit cell of the title compound, C5H7N3O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro­gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and N—H⋯N hydrogen bonds into zigzag-like chains along the b axis.
PMCID: PMC3200577  PMID: 22059058
14.  cyclo-Tetra­kis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxyl­ato-κ4 N 2,O 3:N 1,O 5)tetra­kis[aqua­copper(II)] tetra­deca­hydrate 
The title compound, [Cu4(C7H6N2O3)4(H2O)4]·14H2O, a tetra­nuclear [2 × 2] grid-type complex with S4 symmetry, contains four CuII atoms which are bridged by four pyrazole­carboxyl­ate ligand anions and are additionally bonded to a water molecule. Each CuII atom is coordinated by two O atoms of the carboxyl­ate and acetyl groups, two pyrazole N atoms of doubly deprotonated 3-acetyl-4-methyl-1H-pyrazole-5-carb­oxy­lic acid and one O atom of a water mol­ecule. The geometry at each CuII atom is distorted square-pyramidal, with the two N and two O atoms in the equatorial plane and O atoms in the axial positions. O—H⋯O hydrogen-bonding interactions additionally stabilize the structure. One of the uncoordinated water molecules shows half-occupancy.
PMCID: PMC3200935  PMID: 22058869
15.  Diaquabis­[3-(hydroxy­imino­)butanoato]nickel(II): a triclinic polymorph 
The title centrosymmetric mononuclear complex, [Ni(C4H6NO3)2(H2O)2], is a polymorph of the previously reported complex [Dudarenko et al. (2010 ▶). Acta Cryst. E66, m277–m278]. The NiII atom, lying on an inversion center, is six-coordinated by two carboxyl­ate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxy­imino­butanoate ligands and two axial water mol­ecules in a distorted octa­hedral geometry. The hydr­oxy group forms an intra­molecular hydrogen bond with the coordinated carboxyl­ate O atom. The complex mol­ecules are linked in stacks along [010] by a hydrogen bond between the water O atom and the carboxyl­ate O atom of a neighboring mol­ecule. The stacks are further linked by O—H⋯O hydrogen bonds into a layer parallel to (001).
PMCID: PMC2983669  PMID: 21580256
16.  Diaquabis­[3-(hydroxy­imino)­butanoato]nickel(II) 
In the neutral, mononuclear title complex, [Ni(C4H6NO3)2(H2O)2], the Ni atom lies on a crystallographic inversion centre within a distorted octa­hedral N2O4 environment. Two trans-disposed anions of 3-hydroxy­imino­butanoic acid occupy four equatorial sites, coordinated by the deprotonated carboxyl­ate and protonated oxime groups and forming six-membered chelate rings, while the two axial positions are occupied by the water O atoms. The O atom of the oxime group forms an intra­molecular hydrogen bond with the coordinated carboxyl­ate O atom. The complex mol­ecules are linked into chains along b by hydrogen bonds between the water O atom and the carboxyl­ate O of a neighbouring mol­ecule. The chains are linked by further hydrogen bonds into a layer structure.
PMCID: PMC2983569  PMID: 21580224
17.  Potassium 2-(N-hydroxy­carbamo­yl)acetate monohydrate 
The crystal structure of the title compound, K+·C3H4NO4 −·H2O, consists of potassium cations, monoanions of 2-carboxy­acetohydroxamic acid [namely 2-(N-hydroxy­carbamo­yl)acetate] and solvent water mol­ecules. The elements of the structure are united in a three-dimensional network by numerous K⋯O coordinate bonds and O—H⋯O and N—H⋯O hydrogen bonds. The coordination sphere of the K+ ions may be described as a distorted double capped octa­hedron. Bond lengths and angles are similar to those in related compounds.
PMCID: PMC2970350  PMID: 21577769
18.  Poly[bis­[μ4-N-(2-hydroxy­imino­propion­yl)-N′-(2-oxidoimino­propion­yl)propane-1,3-diaminato]dimethano­lcalciumdicopper(II)] 
In the title compound, [CaCu2(C9H13N4O4)2(CH3OH)2]n, the CaII atom lies on an inversion center and is situated in a moderately distorted octa­hedral environment. The CuII atom is in a distorted square-pyramidal geometry, defined by four N atoms belonging to the amide and oxime groups of the triply deprotonated residue of N,N′-bis­(2-hydroxy­imino­propano­yl)propane-1,3-diamine (H4pap) and one oxime O atom from a neighboring Hpap ligand at the apical site, forming a dimeric [Cu2(Hpap)2]2− unit. Each dimeric unit connects four Ca atoms and each Ca atom links four [Cu2(Hpap)2]2− units through Ca—O(amide) bonds, leading to a three-dimensional framework. The crystal structure involves intra- and inter­molecular O—H⋯O hydrogen bonds.
PMCID: PMC2970044  PMID: 21577475
19.  2-Hydroxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene]propanohydrazide 
The title compound, C10H12N4O2, features an intra­molecular N—H⋯N hydrogen bond formed between the imine NH and oxime N atoms. The oxime group and the amide C=O bond are anti to each other. In the crystal, mol­ecules are connected by O—H⋯O hydrogen bonds into supra­molecular zigzag chains along the c axis.
PMCID: PMC2969988  PMID: 21577640
20.  (2RS)-3-Hydr­oxy-2-methyl-2-(2-pyrid­yl)imidazolidine-4-one 
The title structure, C9H11N3O2, is a racemate. The chiral centre is situated at the N—C—N C atom of the imidazolidine ring. The inter­planar angle between the mean planes of the pyridine and imidazolidine rings is 89.41 (5)°. The methyl group is in a trans position with respect to the pyridine N atom. In the crystal, the mol­ecules are arranged in zigzag layers parallel to the b axis. The mol­ecules within the layers are inter­connected by strong O—H⋯N and weak N—H⋯O hydrogen bonds; the former take place between OH groups and amine N atoms and the latter between the amine N atom and the carbonyl O atom. In addition, C—H⋯O inter­actions are also present.
PMCID: PMC2970069  PMID: 21577537
21.  N-(2-Hydroxy­ethyl)-2-[2-(hydroxy­imino)propanamido]ethanaminium 2-(hydroxy­imino)propanoate 
The cation of the title salt, C7H16N3O3 +·C3H4NO3 −, the oxime group is trans with respect to the amide–carbonyl group. The components of the structure are united into a three-dimensional network by an extensive system of O—H⋯O and N—H⋯O hydrogen bonds.
PMCID: PMC2970128  PMID: 21577497
22.  2,2′-Dihydroxybiphenyl-3,3′-di­carb­aldehyde dioxime 
The mol­ecule of the title compound, C14H12N2O4, lies across a crystallographic inversion centre situated at the mid-point of the C—C intra-annular bond. The mol­ecule is not planar, the dihedral angle between the aromatic rings being 50.1 (1)°. The oxime group is in an E position with respect to the –OH group and forms an intra­molecular O—H⋯N hydrogen bond. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link mol­ecules into chains propagating along [001]. The crystal structure is further stabilized by inter­molecular stacking inter­actions between the rings [centroid-to-centroid distance = 3.93 (1) Å], resulting in layers parallel to the bc plane.
PMCID: PMC2977097  PMID: 21583689
23.  Hexakis(dimethyl sulfoxide-κO)chromium(III) trichloride 
In the title compound, [Cr(C2H6OS)6]Cl3, each CrIII ion is located on a three-fold inversion axis and is coordinated by six dimethyl­sulfoxide ligands [Cr—O = 1.970 (2)–1.972 (2) Å; O—Cr—O = 88.19 (9) and 91.81 (9)°] in a slightly distorted octa­hedral geometry. The Cl− anions take part in the formation of weak C—H⋯Cl hydrogen bonds, which contribute to the crystal packing stabilization.
PMCID: PMC2961805  PMID: 21202768

Results 1-23 (23)