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In the title compound, C22H20N2O2S, the molecule adopts a twisted E configuration around the C=N bond. The two phenyl rings are twisted from each other, making a dihedral angle of 78.00 (12)°. The methyl-substituted benzene ring makes dihedral angles of 32.37 (14) and 69.70 (12)° with the two phenyl rings. In the crystal structure, molecules are linked into extended chains along the b axis through intermolecular N—H⋯O hydrogen bonds.
doi:10.1107/S1600536809013269
PMCID: PMC2977737
PMID: 21583873
In the title compound, C21H16N2O2, the dihedral angles between the mean planes of the 4-nitrophenyl ring and the two phenyl rings are 57.3 (5) and 16.8 (6)°. The imine group displays a C—C—N—C torsion angle of −24.9 (3)°.
doi:10.1107/S1600536812040391
PMCID: PMC3470385
PMID: 23125798
The complete molecule of the title compound, C42H36N6O2, is generated by a crystallographic twofold axis with two C atoms of the central phenyl group lying on the axis. In the independent part of the molecule, one amino group is involved in an intramolecular N—H⋯O hydrogen bond, and the two adjacent phenyl rings are twisted from the plane of the pyrazolone ring with dihedral angles of 6.82 (3) and 88.32 (6)°. The crystal packing exhibits no classical intermolecular contacts.
doi:10.1107/S1600536811027000
PMCID: PMC3213468
PMID: 22091047
The title compound, C18H12N2, adopts an E conformation with the benzylidenemalononitrile and phenyl groups located on opposite sides of the C=C bond. The two phenyl rings are oriented at a dihedral angle of 62.49 (7)°.
doi:10.1107/S1600536809048338
PMCID: PMC2972044
PMID: 21578880
In the title molecule, C25H21N5O3S, the triazole ring forms dihedral angles of 21.4 (2), 61.4 (2) and 102.4 (2)° with the nitrophenyl and two phenyl rings, respectively. In the crystal, weak C—H⋯O hydrogen bonds and π–π interactions between the benzene rings from neighbouring molecules [with a centroid–centroid distance of 3.571 (3) Å] consolidate the crystal packing.
doi:10.1107/S1600536811033587
PMCID: PMC3200841
PMID: 22059037
The title compound, C16H13NO3, crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methylphenyl and 3-nitrophenyl groups is 4.0 (3)° in molecule A and 16.2 (7)° in molecule B. Intermolecular C—H⋯O hydrogen bonding involving the O atoms of the 3-nitrophenyl group of both independent molecules link the molecules into layers approximately parallel to the (110) plane. The layers are held together by π–π stacking interactions between the 4-methylphenyl ring of molecule A and the 3-nitrophenyl ring of molecule B of the adjacent layer, with the distance between the centroids of interacting rings being 3.6987 (7) Å.
doi:10.1107/S160053680706182X
PMCID: PMC2914892
PMID: 21200665
The title compound, C26H18N4O5, can be regarded as an extended ether with two terminal nitro groups. The two aryl rings bonded to the central O atom form a dihedral angle of 75.72 (6)°, and the terminal nitro groups are slightly twisted [by 6.4 (2) and 3.3 (3)°] from the benzene rings to which they are attached. The crystal packing exhibits weak intermolecular C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distances = 3.794 (3) Å].
doi:10.1107/S1600536809033844
PMCID: PMC2969895
PMID: 21577659
In the title compound, C22H26N4O2, the phenyl ring and hydroxybenzene group are twisted with respect to the central pyrazolone ring, making dihedral angles of 54.05 (5) and 21.80 (6)°, respectively. One of the ethyl groups is disordered over two positions with site occupancies of 0.872 (6) and 0.128 (6). The molecular structure features short intramolecular O—H⋯N and C—H⋯O contacts. The crystal packing exhibits weak intermolecular C—H⋯O and C—H⋯π interactions.
doi:10.1107/S1600536811037615
PMCID: PMC3201426
PMID: 22064620
In the title compound, C25H21N5O3S·CH2Cl2, the dichloromethane solvent molecule is disordered over four positions, with an occupancy ratio of 0.271 (3):0.3884 (18):0.298 (2):0.0424 (15). The 1,2,4-triazole ring makes dihedral angles of 47.3 (2)/87.3 (2) and 3.6 (2)° with the phenyl and nitrophenyl rings, respectively. An intramolecular C—H⋯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051 (2) Å]. Intermolecular C—H⋯O hydrogen bonding consolidates the structure.
doi:10.1107/S1600536811043777
PMCID: PMC3247519
PMID: 22220137
The title compound, C15H16F3NO4, is an N-substituted derivative of ortho-trifluoromethylaniline featuring a twofold Michael system. The least-squares planes defined by the atoms of the phenyl ring and the atoms of the Michael system enclose an angle of 15.52 (5)°. Apart from classical intramolecular N—H⋯O and N—H⋯F hydrogen bonds, intermolecular C—H⋯O contacts are observed, the latter connecting the molecules into chains along [110]. The shortest intercentroid distance between two aromatic systems is 3.6875 (9) Å.
doi:10.1107/S1600536812002590
PMCID: PMC3275258
PMID: 22347114
The title compound, C15H13N3O2S2, was obtained from a condensation reaction of benzyl dithiocarbazate and 2-nitrobenzaldehyde. In the molecule, the nearly planar dithiocarbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4 (7)° to the attached benzene ring. The nitrobenzene ring and dithiocarbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, molecules are linked via intermolecular N—H⋯S hydrogen bonds, forming centrosymmetric supramolecular dimers. Weak C—H⋯π interaction is also observed in the crystal structure.
doi:10.1107/S1600536811028686
PMCID: PMC3213549
PMID: 22091126
In the title compound, C13H10N2O2, a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitrophenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C—H⋯O contacts and π–π interactions (centroid–centroid distances of 3.807 and 3.808Å).
doi:10.1107/S1600536808036970
PMCID: PMC2960009
PMID: 21581353
In the title compound, C17H19N5O5, obtained from the condensation reaction of 4-diethylamino-2-hydroxybenzaldehyde and 2,4-dinitrophenylhydrazine, the two benzene rings are twisted by a dihedral angle of 1.75 (12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.20 (15) and 5.78 (15)°. An intramolecular O—H⋯N hydrogen bond occurs. In the crystal, molecules are linked by pairs of intermolecular N—H⋯O hydrogen bonds, forming dimers through R
2
2(12) rings. These dimers are further linked by C—H⋯O and C—H⋯π and weak slipped π–π interactions [centroid–centroid distance = 3.743 (2)Å]. One of the ethyl groups is disordered over two positions, with occupancy factors in the ratio 0.72:0.28.
doi:10.1107/S1600536810044983
PMCID: PMC3011673
PMID: 21589414
The title compound, C13H12N2OS, was obtained from the condensation reaction of 2-acetylthiophene and benzohydrazide. In the molecule, the formohydrazide fragment is approximately planar (r.m.s deviation = 0.0146 Å) and the mean plane is oriented at dihedral angles of 24.47 (11) and 28.86 (13)°, respectively, to the phenyl and thiophene rings. The thiophene and phenyl rings make a dihedral angle of 53.21 (8)°. The benzamide fragment and thiophene ring are located on the opposite sides of the C=N bond, showing an E conformation. Classical intermolecular N—H⋯O hydrogen bonds and weak C—H⋯O interactions are present in the crystal structure: three such bonds occur to the same O-atom acceptor.
doi:10.1107/S1600536811033101
PMCID: PMC3200815
PMID: 22059048
The molecule of the title Schiff base compound, C16H15N3O5, obtained from a condensation reaction of 4-acetoxy-3-methoxybenzaldehyde and 4-nitrophenylhydrazine, adopts an E geometry with respect to the C=N double bond. The molecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, intermolecular N—H⋯O hydrogen bonds link centrosymmetrically related pairs of molecules, forming dimers of R
2
2(22) graph-set motif. The dimers are further connected through slipped π–π interactions between symmetry-related benzene rings [centroid–centroid distance of 3.646 (1) Å, offset angle of 15.4°].
doi:10.1107/S160053681003802X
PMCID: PMC2983317
PMID: 21587632
Crystals of the title compound, C15H15N3O3, were obtained from a condensation reaction of 4-nitrophenylhydrazine and 3-methoxyacetophenone. In the crystal structure, the methoxyphenyl ring is twisted slightly with respect to the nitrophenylhydrazine plane, making a dihedral angle of 14.81 (8)°. The nitro and methoxy groups are each coplanar with the attached benzene rings. The nitrophenyl and methoxyphenyl groups are located on opposite sides of the C=N double bond, indicating an E configuration of the molecule. Adjacent molecules are linked together via N—H⋯O hydrogen bonding, forming chains along the [101] direction.
doi:10.1107/S1600536808018618
PMCID: PMC2961743
PMID: 21202963
The asymmetric unit of the title compound, C16H14N4O4, contains one half-molecule of (nitrophenyl)ethanimine and the complete molecule is generated by a crystallographic inversion centre. The molecule has an E conformation with respect to each C=N double bond. The central C=N—N=C plane is twisted from the benzene rings with a dihedral angle of 24.76 (11)°. In the crystal, C—H⋯O interactions link the molecules to form sheets that lie parallel to (10-4).
doi:10.1107/S1600536812004722
PMCID: PMC3295435
PMID: 22412546
18.
5,5′,5′′-Triphenyl-2,2′,2′′-[2,4,6-trimethylbenzene-1,3,5-triyltris(methylidenesulfanediyl)]tris(1,3,4-oxadiazole)
In the title compound, C36H30N6O3S3, the phenyl rings are twisted from the attached oxadiazole rings in the three arms by 1.5(2), 2.4 (2) and 25.7 (2)°. The crystal packing exhibits weak intermolecular C—H⋯N interactions.
doi:10.1107/S1600536810040730
PMCID: PMC3009160
PMID: 21589021
In the title molecule, C23H18FN3O2, the mean plane of the indole system forms dihedral angles of 44.23 (8) and 14.54 (7)°, respectively, with the phenyl and benzene rings. In the crystal, intermolecular N—H⋯O hydrogen bonds link molecules into two-layer ribbons extended along the b axis. The crystal packing also exhibits weak intermolecular C—H⋯O, C—H⋯F and C—H⋯π interactions.
doi:10.1107/S1600536810009098
PMCID: PMC2983761
PMID: 21580658
N-(n-Decyl)-4-nitroaniline, C16H26N2O2, crystallizes with two essentially planar molecules in the asymmetric unit. The decyl chains are fully extended in an anti conformation. The molecules pack in planar layers, within which molecules are linked into chains by two approximately linear N—H⋯O hydrogen bonds between the amine N atom and one O atom of the nitro group of an adjacent molecule. These molecular chains propagate via interleaving of the decyl chains to form the two dimensional sheets. The sheets are associated exclusively via non-bonded contacts. The structure has features in common with those of other N-alkyl-4-nitroanilines, but also subtle differences in packing.
doi:10.1107/S1600536808003310
PMCID: PMC2960866
PMID: 21201892
In the crystal structure of the centrosymmetric title complex, bis{μ-3-[(2-nitrophenyl)iminomethyl]-2-oxidobenzoato}dicobalt(II), [Co2(C14H8N2O5)2], in which the ligand is 3-[(2-nitrophenyl)iminomethyl]-2-oxidobenzoate, a Schiff base synthesized from 2-nitroaniline with 3-carboxylsalicylaldehyde, the two cobalt(II) ions in the molecular unit are bridged by two phenolate O atoms of the ligands. Each metal centre has a distorted square-planar geometry. In the crystal structure, molecules are linked by Co⋯O interactions involving the nitro O atoms, forming a two-dimensional network. There are also C—H⋯O and π–π stacking interactions [centroid–centroid distances of 3.5004 (2), 3.6671 (2) and 3.6677 (2) Å] between adjacent benzene rings of the two-dimensional networks, leading to the formation of a three-dimensional framework.
doi:10.1107/S1600536808042487
PMCID: PMC2968020
PMID: 21581483
In the title compound, C25H16N2O8, the dihedral angle between the naphthalene ring system and the benzene ring of the nitrophenyl ketone unit is 82.64 (7)°. The bridging ester O—C(=O)—C plane makes dihedral angles of 42.12 (8) and 11.47 (9)°, respectively, with the naphthalene ring system and the benzene ring of the nitrophenyl ester unit. In the crystal, two types of weak intermolecular C—H⋯O interactions are observed.
doi:10.1107/S1600536811027619
PMCID: PMC3213489
PMID: 22091068
In the title compound, C15H13N3O3, the dihedral angle formed by the two benzene rings is 44.23 (2)°. The crystal structure is stabilized by aromatic π–π stacking interactions, with centroid-centroid distances of 3.825 (3) and 3.870 (4) Å between the aniline and the nitrobenzene rings of neighbouring molecules, respectively. In addition, the stacked molecules exhibit intermolecular C—H⋯N and C—H⋯O interactions.
doi:10.1107/S1600536809033753
PMCID: PMC2970305
PMID: 21577917
In the title compound, C17H14BrNO5, the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimethoxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimethoxy-2-nitrophenyl rings are 6.9 (6) and 20.5 (5)°, respectively. Weak intermolecular C—H⋯O interactions contribute to crystal stability and π–π interactions [centroid–centroid distances = 3.7072 (18) and 3.6326 (18) Å] are also observed.
doi:10.1107/S1600536810041292
PMCID: PMC3009291
PMID: 21589107
In the title compound, C13H9FN4O4, the dihedral angle between the mean planes of the two benzene rings of the nearly planar molecule is 6.6 (9)°. The dihedral angles between the mean planes of the benzene ring and its two attached nitro groups are 6.7 (7) and 7.2 (9)°. Crystal packing is stabilized by N—H⋯O hydrogen bonds, weak C—H⋯O and C—H⋯F intermolecular interactions and centroid–centroid π-ring stacking interactions.
doi:10.1107/S1600536811014383
PMCID: PMC3089184
PMID: 21754502