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1.  Ethyl 4-hy­droxy-1-methyl-5-oxo-2-phenyl­pyrrolidine-3-carboxyl­ate 1.25-hydrate 
The asymmetric unit of the title compound, C14H17NO4·1.25H2O, consists of four substituted pyrrolidone mol­ecules (two pairs of enanti­omers) and five water mol­ecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean planes of the five-membered rings of the four pyrrolidone mol­ecules make dihedral angles of 60.87 (5), 64.45 (5), 62.03 (5) and 65.79 (5)° with respect to the phenyl rings. In the crystal, the pyrrolidone and water mol­ecules are connected through O—H⋯O hydrogen bonds, forming a layer parallel to the ab plane. The two-dimensional network is further stabilized by inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536813001943
PMCID: PMC3569816  PMID: 23424562
2.  5-Methyl-1H-indole-3-carbaldehyde 
The title mol­ecule, C10H9NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, mol­ecules are connected through N—H⋯O hydrogen bonds into chains running along [021]. The chains are further connected via C—H⋯π inter­actions, forming layers in the bc plane.
doi:10.1107/S1600536812034873
PMCID: PMC3435712  PMID: 22969583
3.  5-Hy­droxy-6-[(E)-2-phenyl­ethen­yl]-5,6-dihydro-2H-pyran-2-one isolated from Goniothalamus ridleyi  
In the title compound, C13H12O3, the pyran ring adopts a half-chair conformation with a C atom deviating from the least-squares plane of the remaining ring atoms by 0.606 (2) Å. This plane and that of the benzene ring make a dihedral angle of 44.18 (6)°. In the crystal, mol­ecules are linked through O—H⋯O hydrogen bonds into infinite chains along the b axis, and these chains are cross-linked by C—H⋯O hydrogen bonded into sheets lying parallel to the bc plane. The layers are further connected via C—H⋯π inter­actions to form a three-dimensional supra­molecular structure.
doi:10.1107/S1600536812028334
PMCID: PMC3394055  PMID: 22798920
4.  (3Z,3′E)-3,3′-[Cyclo­hexane-1,2-diylbis(aza­nylyl­idene)]bis­(indolin-2-one) N,N-dimethyl­formamide monosolvate dihydrate 
In the Schiff base mol­ecule of the title compound, C22H20N4O2·C3H7NO·2H2O, the cyclo­hexane ring adopts a chair conformation with the two imine groups linked at the equatorial positions. The two indolin-2-one ring systems make a dihedral angle of 65.63 (5)°. In the crystal, the Schiff base mol­ecules are connected through bifurcated N—H⋯(O,N) hydrogen bonds, forming inversion dimers. The water molecules link the dimers and the dimethylformamide molecules via O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds. Together with C—H⋯π and π–π [centroid–centroid distance = 3.3889 (10) Å] inter­actions a three-dimensional supra­molecular structure is formed.
doi:10.1107/S1600536812026335
PMCID: PMC3393919  PMID: 22798784
5.  N,N′-{[Ethane-1,2-diylbis(­oxy)]bis­(ethane-2,1-di­yl)}bis­(4-methyl­benzene­sulfonamide) 
The asymmetric unit of the title compound, C20H28N2O6S2, contains one half-mol­ecule, related to the other half by a twofold rotation axis. The two aromatic rings of the mol­ecule make a dihedral angle of 50.91 (7)°. The O—CH2—CH2—O and N—CH2—CH2—O fragments both adopt gauche conformations, with torsion angles of 76.0 (4) and 70.4 (3)°, respectively. In the crystal, adjacent mol­ecules are linked through N—H⋯O hydrogen bonds into chains along the a-axis direction. The chains are further connected via C—H⋯O inter­actions into a two-dimensional supra­molecular network in the ac plane.
doi:10.1107/S1600536812024324
PMCID: PMC3393259  PMID: 22807816
6.  1,5-Bis(2-oxoindolin-3-yl­idene)thio­carbonohydrazide tetra­hydro­furan monosolvate 
In the thio­carbonohydrazide mol­ecule of the title compound, C17H12N6O2S·C4H8O, the terminal indolin-2-one ring systems make a dihedral angle of 20.13 (6)° with each other. Two intra­molecular N—H⋯O hydrogen bonds are present, each of which generates an S(6) ring. In the crystal, N—H⋯O hydrogen bonds lead to a mol­ecular chain running along the b axis. The tetra­hydro­furan solvent mol­ecule is disordered over two orientations in a 0.561 (11):0.439 (11) ratio.
doi:10.1107/S1600536812022714
PMCID: PMC3379434  PMID: 22719632
7.  tert-Butyl 2-(1H-benzimidazol-1-yl)acetate 
In the title compound, C13H16N2O2, the planes of the benzimidazole ring system and the acetate O—C=O fragment make a dihedral angle of 84.5 (3)°. In the crystal, mol­ecules are connected through C—H⋯N hydrogen bonds to form infinite chains in the [-110] direction.
doi:10.1107/S1600536812002814
PMCID: PMC3297298  PMID: 22412488
8.  tert-Butyl 2-(1H-imidazol-1-yl)acetate 
In the title compound, C9H14N2O2, the imidazole ring and the acetate O—C=O plane make a dihedral angle of 80.54 (12)°. In the crystal, mol­ecules are connected via pairs of C—H⋯O hydrogen bonds, forming centrosymmetric dimers.
doi:10.1107/S1600536812001067
PMCID: PMC3275200  PMID: 22347056
9.  A triclinic polymorph of (E)-2-(1-hy­droxy-3-phenyl­prop-2-en-1-yl­idene)-4,5-dimeth­oxy­cyclo­pent-4-ene-1,3-dione 
The title compound, C16H14O5, is a triclinic polymorph of a previously reported monoclinic structure [Hosseinzadeh et al. (2011 ▶). Acta Cryst. E67, o1544]. The mol­ecule is roughly planar, the r.m.s. deviation from the least-squares plane of all non-H atoms being 0.092 Å. In the crystal, adjacent mol­ecules are linked through C—H⋯O hydrogen bonds into an infinite two-dimensional network parallel to (011). The layers are further connected via C—H⋯π inter­actions, forming a three-dimensional structure. Intra­molecular O—H⋯O and C—H⋯O hydrogen bonds are also observed.
doi:10.1107/S1600536812001043
PMCID: PMC3275208  PMID: 22347064
10.  N,N′-[1,4-Phenyl­enebis(methyl­ene)]bis­(N,N-diethyl­ethanaminium) dibromide 
In the crystal structure of the title compound, C20H38N2 2+·2Br−, the centroid of the aromatic ring is located on an inversion center, so that the asymmetric unit consists of one-half mol­ecule of the dication and one bromide anion. C—H⋯Br inter­actions connect the two components into a three-dimensional network. An intra­molecular C—H⋯π inter­action is also observed.
doi:10.1107/S1600536812000141
PMCID: PMC3275048  PMID: 22346993
11.  1,1′-{[1,4-Phenyl­enebis(methyl­ene)]bis­(­oxy)bis­(4,1-phenyl­ene)}diethanone 
The centroid of the central aromatic ring of the title mol­ecule, C24H22O4, is located on an inversion center. The dihedral angle between the central and terminal benzene rings is 75.00 (7)°. In the crystal, mol­ecules are linked through C—H⋯O hydrogen bonds into chains along [121]. The chains are connected into layers via C—H⋯π inter­actions.
doi:10.1107/S160053681104565X
PMCID: PMC3238835  PMID: 22199688
12.  4-Hy­droxy-3-meth­oxy­benzaldehyde–nicotinamide (1/1) 
In the title compound, C6H6N2O·C8H8O3, an equimolar co-crystal of nicotinamide and vanillin, the aromatic ring and the amide fragment of the nicotinamide mol­ecule make a dihedral angle of 32.6 (2)°. The vanillin mol­ecule is almost planar, with an r.m.s. deviation for all non-H atoms of 0.0094 Å. The vaniline and nicotinamide aromatic rings are nearly coplanar, the dihedral angle between them being 3.20 (9)°. In the crystal, the two components are linked through N—H⋯O and O—H⋯N hydrogen bonds into chains along the a axis. The chains are connected via C—H⋯O inter­actions, forming a three-dimensional polymeric structure.
doi:10.1107/S1600536811045648
PMCID: PMC3238839  PMID: 22199692
13.  1,1′-{[1,4-Phenyl­enebis(methyl­ene)]bis­(­oxy)bis­(3,1-phenyl­ene)}diethanone 
In the title compound, C24H22O4, the centroid of the central benzene ring lies on a special position of 2/m site symmetry, while the terminal aromatic rings are located on a mirror plane. The central and terminal benzene rings are perpendic­ular to each other. In the crystal, the mol­ecules are connected via C—H⋯O hydrogen bonds into a three-dimensional polymeric structure. The network is further consolidated by a C—H⋯π inter­action.
doi:10.1107/S1600536811045041
PMCID: PMC3238815  PMID: 22199668
14.  2-{[2-(Piperazin-4-ium-1-yl)ethyl­iminio]meth­yl}phenolate 0.06-chloride 0.94-perchlorate 
The structure of the title salt, C13H20N3O+·0.94ClO4 −·0.06Cl−, contains a zwitterionic Schiff base with a net positive charge and a perchlorate anion having substitutional disorder with Cl. In the cation, the azomethine N atom is protonated and donates hydrogen bonds to the phenolate O atom and to the tertiary N atom of the piperazine ring. In the crystal, two Schiff base mol­ecules are linked about a center of inversion by a pair of N—H⋯O hydrogen bonds. The resulting dimers are N—H⋯O and C—H⋯O hydrogen bonded to the perchlorate anions, forming a three-dimensional structure. The network is further consolidated by C—H⋯π inter­actions.
doi:10.1107/S1600536811042255
PMCID: PMC3247388  PMID: 22220006
15.  1,1′-{2,2′-[1,4-Phenyl­enebis(methyl­ene)]bis­(­oxy)bis­(2,1-phenyl­ene)}diethanone 
The asymmetric unit of the title compound, C24H22O4, contains one half-mol­ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49 (5)° with the terminal benzene ring. In the crystal, adjacent mol­ecules are linked through C—H⋯O inter­actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via π–π inter­actions formed between the terminal benzene rings [centroid–centroid separation = 3.7276 (6) Å].
doi:10.1107/S1600536811042528
PMCID: PMC3247415  PMID: 22220033
16.  4,4′,6,6′-Tetra-tert-butyl-2,2′-[butane-1,4-diylbis(nitrilo­methanylyl­idene)]diphenol 
The title compound, C34H52N2O2, is centrosymmetric, the mid-point of the central C—C bond being located on an inversion centre. Intra­molecular O—H⋯N and weak C—H⋯O hydrogen bonds are observed, but no significant inter­molecular inter­actions occur in the crystal structure.
doi:10.1107/S1600536811041614
PMCID: PMC3247362  PMID: 22219980
17.  2-(4-Chloro­phen­yl)-3,5-dimethyl-1λ6,2-thia­zine-1,1-dione 
In the title compound, C12H12ClNO2S, the S atom is displaced by 0.708 (2) Å out of the plane through the remaining atoms of the thia­zine ring (r.m.s. deviation = 0.0823 Å). This plane makes a dihedral angle of 89.33 (7)° with the phenyl ring. In the crystal, adjacent mol­ecules are connected through C—H⋯O hydrogen bonds into layers parallel to the bc plane.
doi:10.1107/S1600536811038852
PMCID: PMC3201295  PMID: 22064804
18.  3-(3-Chloro-2-hy­droxy­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde 
In the title compound, C16H11ClN2O2, the pyrazole ring makes dihedral angles of 11.88 (13) and 22.33 (13)° with the 3-chloro-2-hy­droxy­benzene group and phenyl rings, respectively. The phenolic hy­droxy group forms an intra­molecular O—H⋯N hydrogen bond with the imine N atom of the pyrazole unit. The formyl group is virtually coplanar with the pyrazole ring [dihedral angle = 4.5 (19)°] and acts as an acceptor in an intra­molecular C—H⋯O hydrogen bond closing seven-membered ring. In the crystal, adjacent mol­ecules are linked through C—H⋯O hydrogen bonds into infinite chains along the b axis.
doi:10.1107/S1600536811038025
PMCID: PMC3201353  PMID: 22058800
19.  4-(2-Azaniumyl­eth­yl)piperazin-1-ium bis(perchlorate) 
In the title compound, C6H17N3 2+·2ClO4 −, the piperazine ring adopts a chair conformation with the ethyl­ammonium fragment occupying an equatorial position. In the crystal, the dications and perchlorate anions are linked through N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding into a three-dimensional supra­molecular network.
doi:10.1107/S1600536811033976
PMCID: PMC3200960  PMID: 22064357
20.  3,4,5-Trihy­droxy­benzohydrazidium perchlorate–3,4,5-trihy­droxy­benzohydrazide–water (1/1/1) 
The crystal studied of the title compound, C7H9N2O4 +·ClO4 −·C7H8N2O4·H2O, was found to be a racemic twin with a 0.72 (18):0.28 (18) domain ratio. The hydrazidium group is close to planar, with an r.m.s deviation of 0.105 Å; the hydrazide group deviates more from planarity, with an r.m.s deviation of 0.174 Å. In the crystal, the hydrazidium cation, hydrazide mol­ecule, perchlorate anions and water mol­ecules are linked through O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds into a three-dimensional supra­molecular network. In addition, the benzene rings of the hydrazidium and hydrazide units are connected via π–π inter­actions into infinite chains along the c axis; the centroid–centroid distances are 3.486 (3) and 3.559 (3) Å.
doi:10.1107/S1600536811030595
PMCID: PMC3200764  PMID: 22058903
21.  Hexachloridobis­{μ2-2-(piperazin-1-yl)-N-[1-(2-pyrid­yl)ethyl­idene]ethanamine}­trizinc dihydrate 
In the trinuclear title compound, [Zn3Cl6(C13H20N4)2]·2H2O, each terminal ZnII atom is coordinated by an N3 donor set from the Schiff base ligands and two Cl atoms in a distorted square-pyramidal geometry. The central ZnII atom is tetra­hedrally coordinated by two piperazine N atoms from two Schiff base ligands and two Cl atoms. The piperazine rings adopt chair conformations. In the crystal structure, adjacent complex mol­ecules are linked into a three-dimensional network via N—H⋯O, C—H⋯Cl and C—H⋯O hydrogen bonds. The structure includes two water mol­ecules, one of which is disordered over two positions with occupancies of 0.753 (15) and 0.247 (15).
doi:10.1107/S1600536811027437
PMCID: PMC3212165  PMID: 22090867
22.  Aqua­chloridobis(2-{[3-(morpholin-4-yl)prop­yl]imino­meth­yl}phenolato)manganese(III) monohydrate 
In the title compound, [Mn(C14H19N2O2)2Cl(H2O)]·H2O, the MnIII atom is N,O-chelated by two monoanionic Schiff bases, forming two six-membered chelate rings. One Cl atom and one water mol­ecule in trans positions complete a distorted octa­hedral geometry around the metal atom. In the crystal, the complex mol­ecules and the uncoordinated water mol­ecules are connected via O—H⋯N, O—H⋯O and O—H⋯Cl hydrogen bonds into layers parallel to the ac plane and these are consolidated by C—H⋯π inter­actions. The layers are further linked into a three-dimensional network through C—H⋯O inter­actions.
doi:10.1107/S1600536811026493
PMCID: PMC3212133  PMID: 22090835
23.  Dipotassium disulfanilamidate trihydrate 
The asymmetric unit of the title compound, 2K+·2C6H7N2O2S−·3H2O, consists of two potassium cations located on mirror planes, one sulfanilamidate anion in a general position and one and a half mol­ecules of water, one of which is also located on a mirror plane. One potassium cation is seven-coordinated by six sulfonyl O atoms and one water mol­ecule, whereas the other is surrounded by six water O atoms and two sulfonyl O atoms. In the crystal structure, the components are connected into polymeric sheets in the bc plane. The two-dimensional structure is consolidated by N—H⋯O, O—H⋯O, O—H⋯N and C—H⋯π inter­actions. The layers are further linked into a three-dimensional network via N—H⋯O, N—H⋯N and O—H⋯N hydrogen bonds.
doi:10.1107/S1600536811026791
PMCID: PMC3212149  PMID: 22090851
24.  Dichlorido{N,N-dimethyl-N′-[1-(2-pyrid­yl)ethyl­idene]ethane-1,2-diamine-κ3 N,N′,N′′}zinc 
The asymmetric unit of the title compound, [ZnCl2(C11H17N3)], contains two independent penta­coordinate ZnII complex mol­ecules. In each mol­ecule, the metal atom is coordinated by an N,N′,N′′-tridenate Schiff base and two Cl atoms in a distorted square-pyramidal geometry. The two mol­ecules differ little in their geometry, but more in their inter­molecular inter­actions. In the crystal, adjacent mol­ecules are connected via C—H⋯Cl inter­actions into a three-dimensional supra­molecular structure. The network is supplemented by π–π inter­actions formed between the aromatic rings of pairs of the symmetry-related mol­ecules [centroid–centroid distances = 3.6255 (10) and 3.7073 (10) Å]. The crystal lattice contains void spaces with a size of 52 Å3.
doi:10.1107/S1600536811025669
PMCID: PMC3212119  PMID: 22090821
25.  Dichlorido(4-meth­oxy-2-{[2-(piperazin-4-ium-1-yl)eth­yl]imino­meth­yl}phenol­ate)cadmium 
In the title compound, [CdCl2(C14H21N3O2)], the Schiff base ligand chelates the CdII ion in an N,N,O-tridentate fashion. Two Cl atoms complete a distorted square-pyramidal coordination environment around the metal atom. In the crystal, adjacent mol­ecules are linked through C—H⋯π inter­actions into infinite chains along the a axis. The mol­ecules are further connected into a three-dimensional network via N—H⋯O, N—H⋯Cl and C—H⋯Cl inter­actions. The ethyl­ene group is disordered over two sets of sites in a 0.520 (10):0.480 (10) ratio.
doi:10.1107/S1600536811022100
PMCID: PMC3151769  PMID: 21836911

Results 1-25 (86)