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4-Nitro-benzoic acid-2,2'-biimidazole (2/1).

ABSTRACT: In the title adduct, C(7)H(5)NO(4)·0.5C(6)H(6)N(4), the complete biimidazole molecule is generated by a crystallographic inversion centre. In the crystal, N-H?O and O-H?N hydrogen bonds connects the 4-nitro-benzoic acid and 2,2'-biimidazole units, affording multi-dimensional frameworks with graph-set descriptor R(2) (2)(9).

SUBMITTER: Liu X

PROVIDER: S-EPMC2979445 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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4-Nitro-benzoic acid-2,2'-biimidazole (2/1).

Liu Xin X Zhu Weiqun W

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

In the title adduct, C(7)H(5)NO(4)·0.5C(6)H(6)N(4), the complete biimidazole molecule is generated by a crystallographic inversion centre. In the crystal, N-H⋯O and O-H⋯N hydrogen bonds connects the 4-nitro-benzoic acid and 2,2'-biimidazole units, affording multi-dimensional frameworks with graph-set descriptor R(2) (2)(9). ...[more]

PMID: 21579352

Similar Datasets

Benzoic acid-2,2'-biimidazole (2/1).

Project description:In the title compound, C(6)H(6)N(4)·2C(7)H(6)O(2), the asymmetric unit contains a half-mol-ecule of biimidazole and one benzoic acid mol-ecule. The unit cell contains two biimidazole mol-ecules and four benzoic acid mol-ecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole mol-ecule is located on an inversion center (passing through the central C-C bond). Strong N-H⋯O and O-H⋯N hydrogen bonds link the benzoic acid mol-ecules with the neutral biimidazole mol-ecules, which lie in planar sheets. In the crystal packing, the parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an inter-woven three-dimensional network via weak C=O⋯π inter-molecular inter-actions between neighboring mol-ecules.

| S-EPMC3011557 | biostudies-literature

2,2'-(2,2'-Biimidazole-1,1'-di-yl)diethanoic acid.

Project description:In the title compound, C(10)H(10)N(4)O(4), the two imidazole rings adopt a trans conformation and are inclined to one another at a dihedral angle of 55.64 (4)°. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯N hydrogen bonds into chains running parallel to [010] and layers are formed from these by inter-molecular C-H⋯O hydrogen bonds. Additional C-H⋯O hydrogen bonds produce a three-dimensional network.

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3-Amino-benzoic acid-4-nitro-benzoic acid (1/1).

Project description:In the title 1:1 adduct, C(7)H(5)NO(4)·C(7)H(7)NO(2), the nitro group of the 4-nitro benzoic acid is twisted from the attached ring by 4.40 (8)°. In the crystal, the mol-ecules are linked into ribbon-like structures along [150] and [10] via O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O inter-molecular hydrogen bonds.

| S-EPMC2960102 | biostudies-literature

Crystal structures of four isomeric hydrogen-bonded co-crystals of 6-methyl-quinoline with 2-chloro-4-nitro-benzoic acid, 2-chloro-5-nitro-benzoic acid, 3-chloro-2-nitro-benzoic acid and 4-chloro-2-nitro-benzoic acid.

Project description:The structures of the four isomeric compounds of 6-methyl-quinoline with chloro- and nitro-substituted benzoic acids, C7H4ClNO4·C10H9N, namely, 2-chloro-4-nitro-benzoic acid-6-methyl-quinoline (1/1), (I), 2-chloro-5-nitro-benzoic acid-6-methyl-quinoline (1/1), (II), 3-chloro-2-nitro-benzoic acid-6-methyl-quinoline (1/1), (III), and 4-chloro-2-nitro-benzoic acid-6-methyl-quinoline (1/1), (IV), have been determined at 185-190 K. In each compound, the acid and base mol-ecules are linked by a short hydrogen bond between a carboxyl O atom and an N atom of the base. The O⋯N distances are 2.5452 (12), 2.6569 (13), 2.5640 (17) and 2.514 (2) Å, respectively, for compounds (I)-(IV). In the hydrogen-bonded acid-base units of (I), (III) and (IV), the H atoms are each disordered over two positions with O site:N site occupancies of 0.65 (3):0.35 (3), 0.59 (4):0.41 (4) and 0.48 (5):0.52 (5), respectively, for (I), (III) and (IV). The H atom in the hydrogen-bonded unit of (II) is located at the O-atom site. In all of the crystals of (I)-(IV), π-π inter-actions between the quinoline ring system and the benzene ring of the acid mol-ecule are observed. In addition, a π-π inter-action between the benzene rings of adjacent acid mol-ecules and a C-H⋯O hydrogen bond are observed in the crystal of (I), and C-H⋯O hydrogen bonds and O⋯Cl contacts occur in the crystals of (III) and (IV). These inter-molecular inter-actions connect the acid and base mol-ecules, forming a layer structure parallel to the bc plane in (I), a column along the a-axis direction in (II), a layer parallel to the ab plane in (III) and a three-dimensional network in (IV). Hirshfeld surfaces for the title compounds mapped over d norm and shape index were generated to visualize the weak inter-molecular inter-actions.

| S-EPMC7643240 | biostudies-literature

2-(2-Nitro-anilino)benzoic acid.

Project description:In the title compound, C(13)H(10)N(2)O(4), the nitro N atom deviates by 0.031 (2) Å from the plane of the benzene ring to which it is attached. The aromatic rings are oriented at a dihedral angle of 50.6 (1)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, inversion dimers are formed by pairs of O-H⋯O inter-actions.

| S-EPMC3254547 | biostudies-literature

2-Amino-3-nitro-benzoic acid.

Project description:The title compound, C(7)H(6)N(2)O(4), is approximately planar (r.m.s. deviation = 0.026 Å for the 13 non-H atoms). The mol-ecular structure is stabilized by intra-molecular N-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal, mol-ecules are linked via inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3275235 | biostudies-literature

2-Amino-5-nitro-benzoic acid.

Project description:In the title compound, C(7)H(6)N(2)O(4), an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(8) loops. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds then link the dimers, generating R(3) (3)(16)R(2) (1)(6) motifs. The whole mol-ecule is essentially planar, with the greatest deviation from the mean plane being 0.065 (2) Å.

| S-EPMC3275255 | biostudies-literature

2,4-Dichloro-6-nitro-benzoic acid.

Project description:The title compound, C(7)H(3)Cl(2)NO(4), was prepared by the reaction of 2,4-dichloro-6-nitro-toluene with 20% HNO(3) solution at 430 K. The carboxyl and nitro groups are twisted by 82.82 (12) and 11.9 (2)°, respectively, with respect to the benzene ring. The crystal structure is stabilized by O-H⋯O hydrogen bonding between carboxyl groups and weak C-H⋯O hydrogen bonding between the nitro group and the benzene ring of an adjacent mol-ecule.

| S-EPMC2960445 | biostudies-literature

4-Amino-pyridinium 4-nitro-benzoate 4-nitro-benzoic acid.

Project description:The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(7)H(4)NO(4) (-)·C(7)H(5)NO(4), consists of an amino-pyridinium cation, a 4-nitro-benzoate anion and a neutral 4-nitro-benzoic acid mol-ecule. The pyridine ring forms dihedral angles of 64.70 (5)° and 70.37 (5)°, respectively, with the benzene rings of 4-nitro-benzoic acid and 4-nitro-benzoate. In the crystal structure, the cations, anions and the neutral 4-nitro-benzoic acid mol-ecules are linked by O-H⋯O and N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). Adjacent networks are cross-linked via C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances 3.6339 (6) and 3.6566 (6) Å].

| S-EPMC2959422 | biostudies-literature

2-All-yloxy-5-nitro-benzoic acid.

Project description:The mol-ecule of the title compound, C(10)H(9)NO(5), is approximately planar, with the mean planes of the nitro, carboxyl and all-yloxy groups rotated by 8.1 (3), 7.9 (3) and 4.52 (18)°, respectively, from the plane of the benzene ring. Bond lengths in the aromatic ring are influenced by both electronic effects and strain induced by ortho-substitution. In the crystal structure, centrosymmetrically related mol-ecules are paired into dimers through strong O-H⋯O hydrogen bonds.

| S-EPMC2969386 | biostudies-literature

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