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

ABSTRACT: 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.

SUBMITTER: Raza AR

PROVIDER: S-EPMC3008994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,4-Di-fluoro-2-hy-droxy-benzoic acid.

Project description:In the title compound, C7H4F2O3, an intra-molecular O-H?O hydrogen bond is observed. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R 2 (2)(8) ring motifs. These dimers are linked by C-H?O and C-H?F hydrogen bonds, forming sheets lying parallel to (30-1). The sheets are linked by aromatic ?-? stacking inter-actions [inter-centroid distance = 3.7817?(9)?Å], forming a three-dimensional structure.

| S-EPMC4011294 | biostudies-literature

1H-Benzotriazole-4-hy-droxy-benzoic acid (1/1).

Project description:The asymmetric unit of the title compound, C6H5N3·C7H6O3, comprises independent benzotriazole and 4-hydroxybenzoic acid molecules. The dihedral angle between the benzene ring and the benzotriazole ring system is 15.18?(7)°. The mean plane of the carb-oxyl group is twisted at an angle of 18.55?(1)° with respect to the benzene ring. The crystal structure is stabilized by weak inter-molecular N-H?N, O-H?N, O-H?O and C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC3884281 | biostudies-literature

2-Hy-droxy-6-isopropyl-3-methyl-benzoic acid.

Project description:The title compound, C(11)H(14)O(3), is a multiple-substituted derivative of benzoic acid. Intra-cyclic C-C-C angles span a range of 117.16 (19)-122.32 (19)°. Apart from intra-molecular hydrogen bonds between hydroxyl and carboxyl groups, inter-molecular hydrogen bonds are present in the crystal structure, the latter ones giving rise to centrosymmetric carb-oxy-lic acid dimers.

| S-EPMC3089340 | biostudies-literature

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.

| S-EPMC4420063 | biostudies-literature

Crystal structure of 4-benzamido-2-hy-droxy-benzoic acid.

Project description:In the title compound, C14H11NO4, the dihedral angle between the mean planes of the aromatic rings is 3.96 (12)° and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. A short intra-molecular C-H⋯O contact is also seen. In the crystal, carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (2)(8) loops. Conversely, the N-H group does not form a hydrogen bond. Aromatic π-π inter-actions exist at a centroid-centroid distance of 3.8423 (15) Å between the benzene rings. An extremely weak C-H⋯π inter-action also is present.

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Crystal structure of 4-chloro-2-nitro-benzoic acid with 4-hy-droxy-quinoline: a disordered structure over two states of 4-chloro-2-nitro-benzoic acid-quinolin-4(1<i>H</i>)-one (1/1) and 4-hy-droxy-quinolinium 4-chloro-2-nitro-benzoate.

Project description:The title compound, C9H7.5NO·C7H3.5ClNO4, was analysed as a disordered structure over two states, viz. co-crystal and salt, accompanied by a keto-enol tautomerization in the base mol-ecule. The co-crystal is 4-chloro-2-nitro-benzoic acid-quinolin-4(1H)-one (1/1), C7H4ClNO4·C9H7NO, and the salt is 4-hy-droxy-quinolinium 4-chloro-2-nitro-benzoate, C9H8NO+·C7H3ClNO4 -. In the compound, the acid and base mol-ecules are held together by a short hydrogen bond [O⋯O = 2.4393 (15) Å], in which the H atom is disordered over two positions with equal occupancies. In the crystal, the hydrogen-bonded acid-base units are linked by N-H⋯O and C-H⋯O hydrogen bonds, forming a tape structure along the a-axis direction. The tapes are stacked into a layer parallel to the ab plane via π-π inter-actions [centroid-centroid distances = 3.5504 (8)-3.9010 (11) Å]. The layers are further linked by another C-H⋯O hydrogen bond, forming a three-dimensional network. Hirshfeld surfaces for the title compound mapped over shape-index and d norm were generated to visualize the inter-molecular inter-actions.

| S-EPMC6895935 | biostudies-literature

Crystal structures of 3-chloro-2-nitro-benzoic acid with quinoline derivatives: 3-chloro-2-nitro-benzoic acid-5-nitro-quinoline (1/1), 3-chloro-2-nitro-benzoic acid-6-nitro-quinoline (1/1) and 8-hy-droxy-quinolinium 3-chloro-2-nitro-benzoate.

Project description:The structures of three compounds of 3-chloro-2-nitro-benzoic acid with 5-nitro-quinoline, (I), 6-nitro-quinoline, (II), and 8-hy-droxy-quinoline, (III), have been determined at 190 K. In each of the two isomeric compounds, (I) and (II), C7H4ClNO4·C9H6N2O2, the acid and base mol-ecules are held together by O-H⋯N and C-H⋯O hydrogen bonds. In compound (III), C9H8NO+·C7H3ClNO4 -, an acid-base inter-action involving H-atom transfer occurs and the H atom is located at the N site of the base mol-ecule. In the crystal of (I), the hydrogen-bonded acid-base units are linked by C-H⋯O hydrogen bonds, forming a tape structure along the b-axis direction. Adjacent tapes, which are related by a twofold rotation axis, are linked by a third C-H⋯O hydrogen bond, forming wide ribbons parallel to the (03) plane. These ribbons are stacked via π-π inter-actions between the quinoline ring systems [centroid-centroid distances = 3.4935 (5)-3.7721 (6) Å], forming layers parallel to the ab plane. In the crystal of (II), the hydrogen-bonded acid-base units are also linked into a tape structure along the b-axis direction via C-H⋯O hydrogen bonds. Inversion-related tapes are linked by further C-H⋯O hydrogen bonds to form wide ribbons parallel to the (08) plane. The ribbons are linked by weak π-π inter-actions [centroid-centroid distances = 3.8016 (8)-3.9247 (9) Å], forming a three-dimensional structure. In the crystal of (III), the cations and the anions are alternately linked via N-H⋯O and O-H⋯O hydrogen bonds, forming a 21 helix running along the b-axis direction. The cations and the anions are further stacked alternately in columns along the a-axis direction via π-π inter-actions [centroid-centroid distances = 3.8016 (8)-3.9247 (9) Å], and the mol-ecular chains are linked into layers parallel to the ab plane through these inter-actions.

| S-EPMC6775735 | biostudies-literature

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.

| S-EPMC3009312 | biostudies-literature

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

Project description: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.

| S-EPMC3007384 | biostudies-literature

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

Project description:In the title compound, C(14)H(10)FNO(3), the dihedral angle between the two benzene rings is 32.66 (14)°. An S(6) ring motif is formed due to an intra-molecular O-H⋯O hydrogen bond between the hy-droxy and carbonyl groups. In the crystal, mol-ecules are consolidated into dimers with R(2) (2)(8) ring motifs by pairs of O-H⋯O hydrogen bonds.

| S-EPMC3200747 | biostudies-literature

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