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3,4,5-Trihy-droxy-benzoic acid.

ABSTRACT: In the title compound, C(7)H(6)O(5), the three hy-droxy groups on the ring are oriented in the same direction. There are two intra-molecular O-H?O hydrogen bonds in the ring. In the crystal, there are several inter-molecular O-H?O hydrogen bonds and a short contact of 2.7150?(18)?Å between the O atoms of the para-OH groups of adjacent mol-ecules.

SUBMITTER: Hirun N

PROVIDER: S-EPMC3099763 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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3,4,5-Trihy-droxy-benzoic acid.

Hirun Namon N Saithong Saowanit S Pakawatchai Chaveng C Tantishaiyakul Vimon V

Acta crystallographica. Section E, Structure reports online 20110305 Pt 4

In the title compound, C(7)H(6)O(5), the three hy-droxy groups on the ring are oriented in the same direction. There are two intra-molecular O-H⋯O hydrogen bonds in the ring. In the crystal, there are several inter-molecular O-H⋯O hydrogen bonds and a short contact of 2.7150 (18) Å between the O atoms of the para-OH groups of adjacent mol-ecules. ...[more]

PMID: 21754078

Similar Datasets

A third monoclinic polymorph of 3,4,5-trihy-droxy-benzoic acid monohydrate.

Project description:The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ?) [Acta Cryst. C56, 594-595] and Okabe et al. (2001 ?) [Acta Cryst. E57, o764-o766]. The gallic acid mol-ecule is essentially planar (r.m.s. deviation = 0.550?Å). An intra-molecular O-H?O hydrogen bond occurs in the gallic acid mol-ecule, which is linked to the water mol-ecule by a further O-H?O hydrogen bond. In the crystal, the components are linked by O-H?O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs.

| S-EPMC3120380 | biostudies-literature

1,2-Bis(pyridin-4-yl)diazene-3,4,5-trihy-droxy-benzoic acid-methanol (3/2/2).

Project description:The title compound, 3C(10)H(8)N(4)·2C(7)H(6)O(5)·2CH(4)O, has a mol-ecular crystal structure which results from the cocrystallization of gallic acid (GA), 4,4'-azodipyridine (AzPy) and methanol in a 2:3:2 molar ratio. The asymmetric unit comprises one molecule each of GA, AzPy and methanol in general positions and half a molecule of AzPy as this is located about a centre of inversion. In the crystal, all the components of the structure are associated via the extended system of hydrogen bonds (O-H?O and O-H?N) and ?-? stacking inter-actions [centroid-centroid distance = 3.637?(3)?Å] into two-dimensional supra-molecular layers which are packed parallel to the [101] plane. The shortest perpendicular distance and the slippage between aromatic groups are 3.395?(3) and 2.152?(3)?Å, respectively. The AzPy mol-ecules display a trans conformation with respect to the azo groups.

| S-EPMC3414351 | biostudies-literature

3,4,5-Trihy-droxy-benzohydrazidium perchlorate-3,4,5-trihy-droxy-benzohydrazide-water (1/1/1).

Project description:The crystal studied of the title compound, C(7)H(9)N(2)O(4) (+)·ClO(4) (-)·C(7)H(8)N(2)O(4)·H(2)O, was found to be a racemic twin with a 0.72 (18):0.28 (18) domain ratio. The hydrazidium group is close to planar, with an r.m.s deviation of 0.105 Å; the hydrazide group deviates more from planarity, with an r.m.s deviation of 0.174 Å. In the crystal, the hydrazidium cation, hydrazide mol-ecule, perchlorate anions and water mol-ecules are linked through O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional supra-molecular network. In addition, the benzene rings of the hydrazidium and hydrazide units are connected via π-π inter-actions into infinite chains along the c axis; the centroid-centroid distances are 3.486 (3) and 3.559 (3) Å.

| S-EPMC3200764 | biostudies-literature

3,4,5-Trihy-droxy-benzohydrazide.

Project description:In the title compound, C(7)H(8)N(2)O(4), the dihedral angle between the aromatic ring and the hydrazide grouping is 21.34 (7)°. In the crystal, the mol-ecules are linked into a three-dimensional network by O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds.

| S-EPMC3200770 | biostudies-literature

2,3,4-Trihy-droxy-benzoic acid 0.25-hydrate.

Project description:The asymmetric unit of the title compound, C(7)H(6)O(5)·0.25H(2)O, contains two mol-ecules of 2,3,4-trihy-droxy-benzoic acid, with similar conformations, and one water mol-ecule which lies on a twofold rotation axis. Both acid mol-ecules are essentially planar [maximum r.m.s deviations = 0.0324?(2) and 0.0542?(3)?Å for the two acid molecules]. The mol-ecular conformations are stabilized by intra-molecular O(phenol)-H?O(carbox-yl/phenol) inter-actions. A cyclic inter-molecular association is formed between the two acid and one water mol-ecule [graph set R(3) (3)(12)] involving O-H?O hydrogen bonds. The two acid mol-ecules are further linked through a cyclic R(2) (2)(8) carb-oxy-lic acid hydrogen-bonding association, which together with inter-molecular O-H?O hydrogen-bonding inter-actions involving the phenol groups and the water mol-ecule, and weak ?-? inter-actions [minimum ring centroid separation = 3.731?(3)?Å], give a three-dimensional network.

| S-EPMC3297886 | biostudies-other

Isopropyl 3,4,5-trihy-droxy-benzoate.

Project description:In the title compound, C(10)H(12)O(5), the dihedral angle between the benzene ring is almost coplanar with the attached C(O)-O-C group [dihedral angle = 0.32?(15)°]. In the crystal, two intermolecular O-H?O hydrogen bonds make R(4) (4)(26) ring mofits.

| S-EPMC3295442 | biostudies-other

4,4'-Ethyl-enedipyridinium bis-(3,4,5-trihy-droxy-benzoate) sesquihydrate.

Project description:The asymmetric unit of the title compound, C(12)H(14)N(2) (2+)·2C(7)H(5)O(5) (-)·1.5H(2)O, contains two 4,4'-ethyl-enedipyridinium cations, four gallate anions and three water mol-ecules. In the 4,4'-ethyl-enedipyridinium cations, the dihedral angles between the pyridinium rings are 4.3?(3) and 18.6?(3)°. Extensive classical N-H?O and O-H?O hydrogen bonding and weak C-H?O hydrogen bonding and C-H?? inter-actions are present in the crystal structure. ?-? stacking is also observed, the centroid-centroid separations between the benzene and pyridine rings being 3.611?(3), 3.448?(3) and 3.536?(3)?Å.

| S-EPMC3007348 | biostudies-literature

2,6-Di-bromo-3,4,5-tri-meth-oxy-benzoic acid.

Project description:The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C10H10Br2O5, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO3. Like the previously reported 2,6-di-iodo-3,4,5-tri-meth-oxy-benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol-ecules along an endless chain of carb-oxy-lic H-carbonyl inter-actions. A short carbon-yl-phenyl contact hints at a possible lone pair(O)-π-hole inter-action further stabilizing the chain-like structure over a dimeric arrangement of the carb-oxy-lic acid.

| S-EPMC10561206 | biostudies-literature

(E)-4-Meth-oxy-N'-(3,4,5-trihy-droxy-benzyl-idene)benzohydrazide methanol monosolvate.

Project description:The title compound, C(15)H(14)N(2)O(5)·CH(3)OH, displays an E conformation about the azomethine double bond [C=N = 1.277?(2)?Å] and the benzene rings are inclined to one another by 18.28?(9)°. An intra-molecular O-H?O hydrogen bond occurs between the para-OH group and one of the meta-O atoms of the 3,4,5-trihy-droxy-benzyl-idene group. In the crystal, the components are linked into a three dimensional network by O-H?O, O-H?N and C-H?O hydrogen bonds.

| S-EPMC3470206 | biostudies-other

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.

| S-EPMC3011498 | biostudies-literature

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