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

ABSTRACT: The title nitro-phenyl benzamide, C13H9BrN2O3, with two mol-ecules in the asymmetric unit, has dihedral angles of 16.78?(15) and 18.87?(14)° between the benzene rings. An intra-molecular N-H?O hydrogen bond is observed in each mol-ecule. In the crystal, the molecules are linked by weak C-H?O inter-actions; halogen-halogen inter-actions are also observed [Br?Br = 3.4976?(7)?Å]. These inter-actions form R (2) 2(10), R (2) 2(15) and R (6) 6(32) edge-fused rings along [010].

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC3998505 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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

Moreno-Fuquen Rodolfo R Azcárate Alexis A Kennedy Alan R AR

Acta crystallographica. Section E, Structure reports online 20140222 Pt 3

The title nitro-phenyl benzamide, C13H9BrN2O3, with two mol-ecules in the asymmetric unit, has dihedral angles of 16.78 (15) and 18.87 (14)° between the benzene rings. An intra-molecular N-H⋯O hydrogen bond is observed in each mol-ecule. In the crystal, the molecules are linked by weak C-H⋯O inter-actions; halogen-halogen inter-actions are also observed [Br⋯Br = 3.4976 (7) Å]. These inter-actions form R (2) 2(10), R (2) 2(15) and R (6) 6(32) edge-fused rings along [010]. ...[more]

PMID: 24765035

Similar Datasets

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

Project description:In the title compound, C(13)H(9)BrN(2)O(3), the dihedral angle between the mean planes of the two benzene rings is 3.6 (7)°. The amide group is twisted by 28.1 (6) and 31.8 (3)° from the mean planes of the 4-bromo-phenyl and 4-nitro-benzene rings, respectively. The crystal packing features weak inter-molecular N-H⋯O and C-H⋯O hydrogen bonds resulting in a three-dimensional network.

| S-EPMC3051426 | biostudies-literature

Crystal structures of isomeric 4-bromo-<i>N</i>-[(2-nitro-phen-yl)sulfon-yl]benzamide and 4-bromo-<i>N</i>-[(4-nitro-phen-yl)sulfon-yl]benzamide.

Project description:The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitro-phen-yl)sulfon-yl]benzamide, (I), and 4-bromo-N-[(4-nitro-phen-yl)sulfon-yl]benzamide, (II), are described (mol-ecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent mol-ecules [(IA) and (IB)], while that of (II) contains one mol-ecule. The benzoic acid aromatic ring of mol-ecule (IA) is disordered due to rotation about the Car-C(=O) bond over two orientations in a 0.525 (9):0.475 (9) ratio. The dihedral angle between the benzene rings is 85.9 (3)° in (IA) and 65.22 (19)° in (IB), while in (II), the corresponding value is 56.7 (7)°. In the crystals of (I) and (II), N-H⋯O, C-H⋯O and C-H⋯π inter-actions generate three-dimensional networks.

| S-EPMC5347043 | 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

N-(2-Nitro-phen-yl)benzamide.

Project description:In the title compound, C(13)H(10)N(2)O(3), the central C-C(=O)-N-C amide unit makes dihedral angles of 21.68?(4) and 19.08?(4)°, respectively, with the phenyl and nitro-benzene rings. The two aromatic rings are inclined at 3.74?(3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55?(8)°. An intra-molecular N-H?O inter-action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C-H?O contacts generate two centrosymmetric ring systems with R(2) (2)(14) and R(2) (2)(20) graph-set motifs, forming zigzag chains down the a axis. ?-? inter-actions between adjacent phenyl and nitro-benzene rings [centroid-centroid distance = 3.6849?(6)?Å] also form centrosymmetric dimers. These and an additional C-H?O hydrogen bond generate an extensive three-dimensional network structure.

| S-EPMC2977104 | 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

4-Bromo-N-(4-meth-oxy-2-nitro-phen-yl)benzamide.

Project description:In the title compound, C(14)H(11)BrN(2)O(4), the amide segment makes dihedral angles of 23.4?(2) and 20.5?(2)° with the benzene rings, while the dihedral angle between the bezene rings is 2.90?(8)°. The nitro and meth-oxy groups are almost coplanar with their bound benzene ring, with the r.m.s. deviation for the 11 non-H atoms being 0.0265?(1)?Å. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into [2-10] chains by weak C-H?O and C-H?Br inter-actions, which form an R(2) (2)(8) motif between pairs of mol-ecules in the chain. A Br?O [3.2018?(12)?Å] short contact also occurs.

| S-EPMC3344164 | biostudies-other

N-(3-Bromo-phen-yl)-3,4,5-trimethoxy-benzamide.

Project description:In the title compound, C(16)H(16)BrNO(4), the dihedral between the planes of the aromatic rings is 7.74?(18)°. The amide group is tilted with respect to the bromo- and meth-oxy-substituted aromatic rings by 36.3?(8) and 35.2?(8)°, respectively. The meta-meth-oxy groups are essentially in-plane with the aromatic ring [dihedral angles CH(3)-O-C-C = -4.6?(4) and -2.5?(4)°]. The para-meth-oxy group is markedly displaced from the ring plane [dihedral angle CH(3)-O-C-C = -72.5?(4)°]. The crystal packing is stabilized by N-H?O hydrogen bonds linking the mol-ecules into chains running along the b axis.

| S-EPMC2969324 | biostudies-literature

N-(4-Bromo-phen-yl)-3,5-dinitro-benzamide.

Project description:The title mol-ecule, C(13)H(8)BrN(3)O(5), is slightly twisted, with the dihedral angle between the two benzene rings being 5.9?(1)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into one-dimensional chains running along [101]. Further stabilization of the crystal structure is provided by ?-? inter-actions [shortest centroid-centroid distance = 3.6467?(17)?Å].

| S-EPMC3254366 | biostudies-literature

3,5-Dinitro-N-(4-nitro-phen-yl)benzamide.

Project description:In the title mol-ecule, C(13)H(8)N(4)O(7), the amide fragment has an anti configuration. The mean planes of the two benzene rings form a dihedral angle of 7.78?(4)°. The mean planes of the three nitro groups are twisted by 6.82?(3), 5.01?(4) and 18.94?(7)° with respect to the benzene rings to which they are attached. In the crystal, mol-ecules are linked by weak inter-molecular N-H?O hydrogen bonds into chains along [100].

| S-EPMC3011508 | biostudies-literature

N-(2-Methyl-phen-yl)-2-nitro-benzamide.

Project description:In the title compound, C(14)H(12)N(2)O(3), the dihedral angle between the two aromatic rings is 41.48 (5)°. The nitro group is twisted by 24.7 (3)° out of the plane of the aromatic ring to which it is attached. The mol-ecules are connected by N-H⋯O hydrogen bonds into chains running along the a axis.

| S-EPMC2960181 | biostudies-literature

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