4-Chloro-3-nitro-benzamide.
Ontology highlight
ABSTRACT:
SUBMITTER: Liu BN
PROVIDER: S-EPMC2967989 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The amide group in the title compound, C(7)H(6)ClN(3)O(3), is significantly twisted out of the plane of the benzene ring [C-C-C-O = 34.2 (5)°] whereas the nitro group is almost co-planar [O-N-C-C = 4.0 (5)°] with the ring. Intra-molecular N-H⋯O and N-H⋯Cl hydrogen bonds occur. In the crystal, the mol-ecules are linked by N-H⋯O hydrogen bonds, generating layers propagating in the ab plane.
| S-EPMC3343961 | biostudies-literature
Project description:In the title compound, C(13)H(8)ClN(3)O(5), the dihedral angle between the two aromatic rings is 70.74?(6)°. The nitro groups of the Cl-substituted and benzamide benzene rings are twisted by 2.6?(1) and 31.3?(2)°, respectively. The crystal packing shows inter-molecular C-H?O hydrogen bonds that link mol-ecules into sheets stacked along [010].
| S-EPMC2961029 | biostudies-literature
Project description:In the title compound, C13H9ClN2O3, the mean plane of the central amide fragment (r.m.s. deviation = 0.016 Å) subtends dihedral angles of 15.2 (2) and 8.2 (2)° with the chloro- and nitro-substituted benzene rings, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming C(7) chains which propagate along [010], but no Cl⋯Cl short contacts are observed.
| S-EPMC4555397 | biostudies-literature
Project description:The title compound, C(13)H(9)ClN(2)O(3), is almost planar, showing a dihedral angle of 4.63?(6)° between the aromatic ring planes. The nitro group also lies in the plane, the C-C-N-O torsion angle being 6.7?(2)°. There is an intamolecular C-H?O hydrogen bond. The crystal structure features N-H?O(nitro) hydrogen bonds that link the mol-ecules into zigzag chains extending along [010].
| S-EPMC3435803 | biostudies-other
Project description:In the title compound, C13H9ClN2O5S, the dihedral angle between the benzene rings is 74.86?(11)°. The mol-ecule is twisted at the S atom, with a dihedral angle of 82.53?(13)° between the sulfonyl benzene ring and the S-N-C=O segment. In the crystal, mol-ecules are linked into inversion dimers through pairs of N-H?O hydrogen bonds, thereby forming R 2 (2)(8) loops. Mol-ecules are linked into C(7) [010] chains by weak C-H?O hydrogen bonds, and C-H?? inter-actions are also observed.
| S-EPMC3770368 | biostudies-other
Project description:The title compound, C(13)H(9)N(3)O(5), prepared as a solid derivative of 3-nitro-analine via reaction with 4-nitro-benzoyl chloride, crystallizes in a chiral space group. The mol-ecule is non-planar with a dihedral angle of 26.1?(1)° between the two benzene rings. Both nitro groups are twisted slightly out of the plane of their corresponding benzene rings, making dihedral angles of 10.7?(4) and 13.5?(4)°. The mol-ecules are stacked along the a axis with benzene ring centroid-centroid distances of 3.8878?(6)?Å. In the crystal, inter-molecular benzene C-H?O inter-actions involving one nitro group and the carbonyl group link the mol-ecules, forming chains along [001]. An additional set of aromatic C-H?O inter-actions with the second nitro group form chains along [101], connecting adjacent chains to create layers perpendicular to the b axis.
| S-EPMC3201324 | biostudies-literature
Project description:The central acetyl-acetamide moiety in the title compound, C(14)H(9)N(3)O(6), is buckled [e.g. the C-N-C-O torsion angle is 14.3?(6)°] but the r.m.s. deviation for the five atoms is 0.044?Å. The benzene rings lie on the same side of the central plane, forming dihedral angles of 37.17?(15) and 28.58?(19)° with it. The dihedral angle between the two rings is 17.8?(2)° indicating that the mol-ecule is curved. The carbonyl groups are syn to each other and anti to the amino H atom. This allows for the formation of N-H?O hydrogen bonds in the crystal, which leads to twisted chains along the b axis. Positional disorder (50:50) of the O atoms was modelled for both the nitro groups.
| S-EPMC3089125 | biostudies-literature
Project description:In the crystal structure of the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O bonds are anti to each other in the two independent mol-ecules. In one mol-ecule, the N-H bond is syn to the meta-chloro group of the attached ring; it is anti in the other mol-ecule. This relationship is also observed between the C=O bond and the meta-chloro substituent of its attached ring. The amide -NHCO- group makes dihedral angles of 31.5?(4) and 34.7?(3)° with the aniline rings; it makes dihedral angles of 37.4?(3) and 37.2?(3)° with the benzoyl rings. The two rings are nearly coplanar, with dihedral angles of 9.1?(2) and 7.3?(3)° in the two independent mol-ecules. Adjacent mol-ecules are linked into infinite chains through N-H?O hydrogen bonds.
| S-EPMC2961234 | biostudies-literature
Project description:In the mol-ecular structure of the title compound, C(13)H(9)Cl(2)NO, the amide N-C=O plane makes dihedral angles of 31.53?(8) and 36.23?(8)°, respectively, with the 4-chloro- and 2-chloro-phenyl rings. The dihedral angle between the two benzene rings is 6.25?(8)°. The mol-ecules are stacked in columns along the b axis through inter-molecular N-H?O hydrogen bonds. The columns are further connected by weak C-H?O hydrogen bonds. The compound is not isomorphous with the fluoro analogue.
| S-EPMC2959385 | biostudies-literature
Project description:In the title compound, C(13)H(9)Cl(2)NO, the meta-Cl atom in the benzoyl ring is positioned anti to the C=O bond, while the ortho-Cl atom in the aniline ring is positioned syn to the N-H bond. The two aromatic rings are almost coplanar, making a dihedral angle of 4.73?(5)°. The crystal structure is stabilized by N-H?O hydrogen bonds, which link the mol-ecules into chains along the b axis.
| S-EPMC3254408 | biostudies-literature