151 research outputs found
cis-Aquachloridobis(1,10-phenanthroline-κ2 N,N′)cobalt(II) chloride 2.5-hydrate
In the title complex, [CoCl(C12H8N2)2(H2O)]Cl·2.5H2O, the CoII ion is coordinated by four N atoms of two bis-chelating 1,10-phenanthroline (phen) ligands, one water molecule and a chloride ligand in a distorted octahedral environment. The dihedral angle between the two phen ligands is 84.21 (3)°. In the crystal structure, complex molecules and chloride ions are linked into centrosymmetric four-component clusters by intermolecular O—H⋯Cl hydrogen bonds. Of the 2.5 solvent water molecules in the asymmetric unit, two were refined as disordered over two sites with fixed occupancies of ratios 0.50:0.50 and 0.60:0.40, while another was refined with half occupancy
(E)-2-(2-Formylphenoxymethyl)-3-phenylprop-2-enenitrile
In the title compound, C17H13NO2, the dihedral angle between the benzene and the phenyl ring is 65.92 (7)°. The carbonitrile side chain is almost linear, the C—C—N angle being 175.55 (14)°. The crystal structure is stabilized by intermolecular C—H⋯O interactions
(2S,5S,6R)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-6-carbonitrile
In the title compound, C24H20N2O2, the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by 0.654 (6) Å. The five-membered isoxazole ring adopts an N-envelope conformation with the N atom displaced by 0.742 (5) Å from the mean plane formed by the remaining ring atoms. The carbonitrile side chain is almost linear, with a C—C—N angle of 178.6 (5)°. The crystal packing is stabilized by intermolecular C—H⋯N interactions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The molecular structure and crystal packing are further stabilized by intramolecular and intermolecular C—H⋯π interactions
4-[(Diethoxyphosphinoyl)methyl]benzoic acid
In the title compound, C12H17N2O5P, the phosphonate group is almost orthogonal to both the ethyl groups, with a dihedral angle of 83.75 (11)°. In the crystal, molecules are linked into centrosymmetric dimers via pairs of O—H⋯O hydrogen bonds with an R
2
2(20) graph-set motif. The crystal structure is further consolidated by weak C—H⋯π interactions
(2-Benzoylphenyl)(3,4-dimethylphenyl)methanone
In the title compound, C22H18O2, the central benzene ring forms dihedral angles of 76.0 (1) and 73.1 (1)° with the phenyl ring and dimethyl-substituted benzene ring, respectively. The carbonyl-group O atoms deviate significantly from the phenyl ring and the dimethyl-substituted benzene ring [−0.582 (12) and 0.546 (12) Å, respectively]. The crystal packing is stabilized by C—H⋯π interactions
[2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone
The asymmetric unit of the title compound, C22H18O2, contains one half-molecule, the complete molecule being generated by the operation of a crystallographic twofold rotation axis. The carbonyl group and the two C atoms attached to it forms interplanar angles of 23.67 (7)° with the methyl-substituted phenyl ring and 50.74 (8)° with the central ring. In the crystal, molecules are linked into infinite chains along the b-axis direction by intermolecular C—H⋯O interactions, generating R
2
2(10) graph-set motifs
3′-Hydroxymethyl-1′-methyl-3′-nitro-4′-(o-tolyl)spiro[indoline-3,2′-pyrrolidin]-2-one
The title compound, C20H21N3O4, crystallizes with two molecules in the asymmetric unit. In both molecules, the pyrrolidine ring adopts an envelope conformation. The crystal structure is stabilized by intermolecular C—H⋯O, N—H⋯O and O—H⋯O hydrogen bonds
Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxylate
The title compound, C20H22N2O3, crystallizes with two independent molecules in the asymmetric unit. In both molecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6 (4)/40.3 (5) and 75.9 (5)/58.6 (7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å. The ethoxycarbonyl groups show conformational difference between two molecules, as reflected in the orientation of the carbonyl O atoms and the C—C—O—C torsion angle of −179.0 (2)° in one molecule and 73.2 (2)° in the other. In one molecule there is a short N—H⋯O contact that generates an S(5) ring motif. In the crystal, N—H⋯O interactions generate R
2
2(8) graph-set motifs and C—H⋯O interactions generate R
2
2(10) and R
2
2(14) graph-set motifs. C—H⋯π interactions also occur
2-[(4-Formylphenyl)(hydroxy)methyl]acrylonitrile
In the title compound, C11H9NO2, the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61 (7)°. The carbonitrile side chain is almost linear, the C—C—N angle being 179.54 (16)°. In the crystal, molecules are linked by intermolecular O—H⋯O interactions into infinite chains running parallel to the b axis
(Z)-Methyl 2-[(2-ethoxy-6-formylphenoxy)methyl]-3-(4-ethylphenyl)acrylate
The title compound, C22H24O5, consists of two substituted benzene rings linked by an ethyl acrylate group. The dihedral angle between the two benzene rings is 58.39 (7)°. The crystal packing is governed by two C—H⋯O interactions, one of which forms centrosymmetric dimers with a graph-set descriptor of R
2
2(18)
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