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2-Amino-3-chloro-5-nitro-benzamide.

ABSTRACT: 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.

SUBMITTER: Wardell JL

PROVIDER: S-EPMC3343961 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Chloro-3-nitro-benzamide.

Project description:In the crystal of the title compound, C(7)H(5)ClN(2)O(3), the molecules are linked by N-H⋯O and C-H⋯O hydrogen bonds. The π-π contact between the benzene rings, [centroid-centroid distance = 3.803 (3) Å] may further stabilize the structure.

| S-EPMC2967989 | biostudies-literature

N-(2-Chloro-4-nitro-phen-yl)-2-nitro-benzamide.

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

N-(4-Chloro-phen-yl)-4-nitro-benzamide.

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-literature

5-Dimethyl-amino-N,N-dimethyl-2-nitro-benzamide.

Project description:In the title compound, C(11)H(15)N(3)O(3), one of the methyl groups attached to the benzamide unit is slightly twisted with a C-N-C-C torsion angle of 4.04?(13)°. The crystal packing is stabilized by weak intermolecular C-H?O hydrogen bonds together with a weak C-H?? inter-action.

| S-EPMC2969681 | biostudies-literature

Crystal structure of 3-chloro-N-(2-nitro-phen-yl)benzamide.

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

2-Amino-6-chloro-N-methyl-benzamide.

Project description:In the title compound, C8H9ClN2O, the dihedral angle between the benzene ring and the methyl-amide substituent is 68.39?(11)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming layers parallel to the ab plane.

| S-EPMC3884310 | biostudies-other

N-[(2-Chloro-phen-yl)sulfon-yl]-3-nitro-benzamide.

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

2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone.

Project description:In the title compound, C(13)H(9)ClN(2)O(3), an intra-molecular hydrogen bond between the carbonyl O and an amine H atom from the 2-amino-benzoyl group stabilizes the mol-ecule, keeping these two groups nearly in the same plane [dihedral angle 14.6?(6)°]. The dihedral angle between the mean planes of the planar 2-amino-benzoyl and 2-chloro-benzoyl groups is 73.8?(6)°. The crystal packing is stabilized by a collection of inter-mediate hydrogen-bonding inter-actions which forms an infinite N-H?O?H-N-H?O hydrogen-bonded chain along the c axis in concert with weak N-H?Cl inter-actions in the same direction, producing a two-dimensional inter-molecular bonding network parallel to (001). Additional weak C-Cl?Cg [Cl?Cg = 3.858?(3)?Å] and N-O?Cg [O?Cg = 3.574?(1) and 3.868?(6)?Å] ?-ring inter-actions provide added support to the crystal stability. A MOPAC computational calculation gives support to these observations.

| S-EPMC2977436 | biostudies-literature

4-Amino-pyridinium 2-chloro-4-nitro-benzoate monohydrate.

Project description:In the title hydrated mol-ecular salt, C5H7N2(+)·C7H3ClNO4(-)·H2O, the ions and water mol-ecules assemble into ribbons of R6(5)(22) rings along the c axis via O(water)-H⋯O(-), N(+)-H⋯O(water) and N-H⋯O(-) hydrogen bonds. N-H⋯O(-) hydrogen bonds connect adjacent ribbons along the c-axis direction via R4(4)(12) rings, forming hydrogen-bonded layers. The CO2 and NO2 groups make dihedral angles of 81.8 (2) and 1.4 (2)°, respectively, with the ring in the anion.

| S-EPMC3588959 | biostudies-literature

4-Nitro-N-(3-nitro-phen-yl)benzamide.

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

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