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2-Bromo-4-nitro-aniline.

ABSTRACT: In the mol-ecule of the title compound, C(6)H(5)BrN(2)O(2), the dihedral angle between the nitro group and the aromatic ring is 4.57?(4)°. An intra-molecular N-H?Br inter-action results in the formation of a planar five-membered ring, which is oriented with respect to the aromatic ring at a dihedral angle of 1.64?(6)°. In the crystal structure, inter-molecular N-H?N and N-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Arshad MN

PROVIDER: S-EPMC2968609 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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2-Bromo-4-nitro-aniline.

Arshad Muhammad Nadeem MN Tahir M Nawaz MN Khan Islam Ullah IU Shafiq Muhammad M

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

In the mol-ecule of the title compound, C(6)H(5)BrN(2)O(2), the dihedral angle between the nitro group and the aromatic ring is 4.57 (4)°. An intra-molecular N-H⋯Br inter-action results in the formation of a planar five-membered ring, which is oriented with respect to the aromatic ring at a dihedral angle of 1.64 (6)°. In the crystal structure, inter-molecular N-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules. ...[more]

PMID: 21582149

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Isotypic crystal structures of 2,6-di-bromo-N,N-bis-(4-nitro-phen-yl)aniline and 2,6-di-chloro-N,N-bis-(4-nitro-phen-yl)aniline.

Project description:In the mol-ecules of the two isotypic title compounds, C18H11Br2N3O4 (I) and C18H11Cl2N3O4 (II), the tri-phenyl-amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058?(13)?Å for the Br compound (I) and 0.0074?(9)?Å for the Cl compound (II). In the crystals, mol-ecules are linked through C-H?O hydrogen bonds between phenyl rings and nitro groups and by X?O (X = Br, Cl) inter-actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network.

| S-EPMC4158496 | biostudies-literature

4-Bromo-N-(4-bromo-phen-yl)aniline.

Project description:In the title compound, C(12)H(9)Br(2)N, the dihedral angle between the benzene rings is 47.32?(5)°, whereas the pitch angles, or the angles between the mean plane of each aryl group 'propeller blade' and the plane defined by the aryl bridging C-N-C angle, are 18.1?(2) and 31.7?(2)°. No inter-molecular N-H hydrogen bonding is present in the crystal; however, there is a short inter-molecular Br?Br contact of 3.568?(1)?Å.

| S-EPMC3100017 | biostudies-literature

4-Bromo-2-chloro-aniline.

Project description:The title compound, C(6)H(5)BrClN, is almost planar (r.m.s. deviation = 0.018?Å). In the crystal, mol-ecules are linked by inter-molecular N-H?N and weak N-H?Br hydrogen bonds, generating sheets.

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4-Bromo-N-phenyl-aniline.

Project description:In the title compound, C(12)H(10)BrN, the dihedral angle between the benzene rings is 52.5 (1)°, whereas the pitch angles, or the angles between the mean plane of each aryl group 'propeller blade' and the plane defined by the aryl bridging C-N-C angle, are 19.6 (2) and 36.2 (3)°. While the N-H group is not involved in hydrogen-bonding inter-actions, the structure exhibits a network of inter-molecular C-H⋯π and N-H⋯π inter-actions.

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4-Bromo-2,6-dimethyl-aniline.

Project description:The asymmetric unit of the title compound, C(8)H(10)BrN, contains two independent mol-ecules. The Br, N and methyl group C atoms lie in the benzene ring planes. In the crystal structure, N-H⋯N hydrogen bonds link the mol-ecules.

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N-Benzyl-3-nitro-aniline.

Project description:The mol-ecule of the title compound, C(13)H(12)N(2)O(2), has a bent conformation with a torsion angle about the central C-N bond of 72.55?(19)°. In the crystal, the mol-ecules are connected via classical N-H?O and non-classical C-H?O hydrogen bonds into chains along [10[Formula: see text]]. The dihedral angle between the ring planes is 86.0?(6)°.

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N-Ferrocenylmethyl-2-nitro-aniline.

Project description:In the title compound, [Fe(C(5)H(5))(C(12)H(11)N(2)O(2))], the two cyclo-penta-dienyl (Cp) rings are nearly eclipsed and parallel to each other, the dihedral angle between their mean planes being 2.54?(1)°. One of the Cp rings is substituted by a nitro-benzenamine group, which is essentially perpendicular to the substituted cyclo-penta-dienyl ring, with an N-C(H(2))-C-C torsion angle of 89.8?(2)°. Intra-molecular N-H?O and N-H?N hydrogen bonds occur. In the crystal, weak C-H?O hydrogen bonds link adjacent mol-ecules.

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2-Chloro-5-nitro-aniline.

Project description:The mol-ecule of the title compound, C(6)H(5)ClN(2)O(2), is close to being planar (rms deviation = 0.032?Å for all non-H atoms), with a maximum deviation of -0.107?(3)?Å for an O atom. In the crystal structure, inter-molecular N-H?O and N-H?N inter-actions link the mol-ecules into a three-dimensional network.

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2-Ethyl-5-nitro-aniline.

Project description:The mol-ecule of the title compound, C(8)H(10)N(2)O(2), is nearly planar [maximum deviation of 0.163 (3) Å for one of the O atoms of the NO(2) group]. In the crystal structure, weak inter-molecular N-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into chains, forming R(2) (2)(10) ring motifs.

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2,4-Dimethyl-6-nitro-aniline.

Project description:The asymmetric unit of the title compound, C(8)H(10)N(2)O(2), contains two independent mol-ecules, which are linked by weak N-H⋯O hydrogen-bonding inter-actions between the amino and nitro groups. The independent molecules are both approximately planar with r.s.d. deviations of 0.0216 and 0.0161 Å.

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