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2-Amino-5-bromo-pyridine-4-hy-droxy-benzoic acid (1/1).

ABSTRACT: The title 1:1 adduct, C(5)H(5)BrN(2)·C(7)H(6)O(3), contains two mol-ecules of each species in the asymmetric unit, with similar geometries. In the crystal, mol-ecules are linked to form extended chains along [100] by N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds. Adjacent chains are crosslinked via further N-H?O inter-actions into sheets lying parallel to (001). The crystal studied was an inversion twin with a 0.54?(2):0.46?(2) domain ratio.

SUBMITTER: Quah CK

PROVIDER: S-EPMC3007384 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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2-Amino-5-bromo-pyridine-4-hy-droxy-benzoic acid (1/1).

Quah Ching Kheng CK Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100707 Pt 8

The title 1:1 adduct, C(5)H(5)BrN(2)·C(7)H(6)O(3), contains two mol-ecules of each species in the asymmetric unit, with similar geometries. In the crystal, mol-ecules are linked to form extended chains along [100] by N-H⋯O, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. Adjacent chains are crosslinked via further N-H⋯O inter-actions into sheets lying parallel to (001). The crystal studied was an inversion twin with a 0.54 (2):0.46 (2) domain ratio. ...[more]

PMID: 21588263

Similar Datasets

Crystal structure of 3-bromo-2-hy-droxy-benzoic acid.

Project description:Mutual carbox-yl-carboxyl O-H?O hydrogen bonds link the mol-ecules of the title compound, C7H5BrO3, into centrosymmetric dimers which display a central R 2 (2)(8) ring motif. In addition, there is an intra-molecular hydrox-yl-carboxyl O-H?O inter-action present. A comparison with the crystal structures of 59 other substituted derivatives of salicylic acid shows that both the centrosymmetric carbox-yl-carboxyl O-H?O dimer and the stacking mode of mol-ecules along the short a axis observed in the title structure are frequent packing motifs in this set.

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2-Amino-5-bromo-pyridine-benzoic acid (1/1).

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(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(18)H(20)N(2)O(3), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined at an angle of 12.25 (19)°. The mol-ecule has an E conformation about the C=N bond. One of the ethyl groups is disordered over two positions, with a refined site-occupancy ratio of 0.55 (1):0.45 (1). An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs.

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5-[(E)-(2,6-Dichloro-benzyl-idene)amino]-2-hy-droxy-benzoic acid.

Project description:There are two geometrically different mol-ecules in the asymmetric unit of the title compound, C(14)H(9)Cl(2)NO(3). The 5-amino-2-hy-droxy-benzoic acid units [r.m.s. deviations of 0.0323 and 0.0414?Å] and 2,6-dichloro-benzaldehyde groups [r.m.s. deviations of 0.0285 and 0.0226?Å] are roughly planar and oriented at dihedral angles of 11.69?(13) and 83.12?(6)° in the two mol-ecules. An intra-molecular O-H?O hydrogen bond completes an S(6) ring motif in each mol-ecule. The two mol-ecules form dimers with each other through inter-molecular O-H?N and C-H?O hydrogen bonds, completing an R(2) (2)(8) ring motif. The dimers are inter-linked via inter-molecular O-H?N and C-H?O hydrogen bonds, forming polymeric sheets.

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5-[(E)-(2-Fluoro-benzyl-idene)amino]-2-hy-droxy-benzoic acid.

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5-Chloro-2-hy-droxy-benzoic acid.

Project description:The asymmetric unit of the title compound, C(7)H(5)ClO(3), contains two mol-ecules; both feature an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, both mol-ecules form inversion dimers linked by pairs of O-H⋯O hydrogen bonds with R(2) (2)(8) ring motifs. The dimers are inter-linked by C-H⋯O inter-actions.

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3,4-Dihy-droxy-benzoic acid pyridine monosolvate.

Project description:The asymmetric unit of the title compound, C(7)H(6)O(4)·C(5)H(5)N, consists of one 3,4-dihy-droxy-benzoic acid and one pyridine mol-ecule, both located on general positions. The 3,4-dihy-droxy-benzoic acid mol-ecules are arranged in layers and are connected by inter-molecular O-H?O hydrogen bonding, forming channels along the a axis in which the pyridine mol-ecules are located. The pyridine and the acid mol-ecules are additionally linked by strong O-H?N hydrogen bonding and by weak ?-? stacking inter-actions with centroid-centroid distances between the pyridine rings of 3.727?(2)?Å.

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(E)-3-[(2-Hy-droxy-3-meth-oxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(15)H(13)NO(4), the dihedral angle between the substituted benzene rings is 9.9?(8)°. Part of the mol-ecule (the salicylaldimine segment) is disordered over two sets of sites, with a refined site-occupancy ratio of 0.550?(14):0.450?(14). Intra-molecular O-H?N hydrogen bonds form S(6) ring motifs. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into centrosymmetric dimers with R(2) (2)(8) ring motifs. The crystal packing also features C-H?? inter-actions.

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(E)-3-[(3-Eth-oxy-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(16)H(15)NO(4), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined to one another by 4.24 (12)°. The mol-ecule has an E conformation about the C=N bond. An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link the mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs. These dimers are further connected by C-H⋯O inter-actions, forming a sheet in (104). There is also a C-H⋯π inter-action present involving neighbouring mol-ecules.

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