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2-[(2-Acet-oxy-benzo-yl)-oxy]benzoic acid.

ABSTRACT: The title compound, C(16)H(12)O(6), is a common impurity of ortho-acetyl-salicylic acid (aspirin). The benzene rings form a dihedral angle of 81.9 (1)° while the acetyl and carboxyl groups form dihedral angles of 74.0 (1) and 26.4 (2)°, respectively, with the benzene rings to which they are bound. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds between the carboxyl groups, forming inversion dimers.

SUBMITTER: Solanko KA

PROVIDER: S-EPMC3393920 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(Acet-oxy-meth-yl)benzoic acid.

Project description:The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H?O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H?? inter-action providing inter-planar binding. The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

| S-EPMC3569790 | biostudies-literature

Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.

Project description:In the title mol-ecule, C10H10O4, the carb-oxy-lic acid group is twisted by 11.37 (15)° from the plane of the benzene ring and the acet-oxy group is twisted from this plane by 86.60 (17)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers with the expected R 2 (2)(8) graph-set motif.

| S-EPMC4518910 | biostudies-literature

2-{4-[Acet-yl(eth-yl)amino]-benzene-sulfonamido}-benzoic acid.

Project description:In the title compound, C(17)H(18)N(2)O(5)S, the dihedral angle between the aromatic rings is 68.59?(10)° and the C-S-N-C torsion angle is -81.84?(18)°. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond, generating an S(6) ring. In the crystal, mol-ecules are linked by C-H?O and O-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC3344450 | biostudies-literature

2-[2-Hydr-oxy-4-(pyrrolidin-1-yl)benzo-yl]benzoic acid.

Project description:The title compound, C(18)H(17)NO(4), crystallizes with two indepen-dent mol-ecules in the asymmetric unit. The pyrrolidine ring in one mol-ecule is disordered over two positions, with refined site-occupancy factors of 0.853?(5) and 0.147?(5). The dihedral angles between the planes of the benzene rings in the two independent mol-ecules are 56.8?(2) and 68.2?(5)°. The mol-ecular conformations are stabilized by intra-molecular O-H?O hydrogen bonds. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds, forming dimers and generating rings of graph-set motif R(2) (2)(8).

| S-EPMC2968880 | biostudies-other

2-Fluoro-4-(meth-oxy-carbon-yl)benzoic acid.

Project description:In the crystal of the title compound, C(9)H(7)FO(4), classical carboxylate inversion dimers are linked by pairs of O-H?O hydrogen bonds. The packing is consolidated by C-H?F and C-H?O interactions. The benzene ring and the methoxycarbonyl group are nearly coplanar, with a dihedral angle of 1.5?(3)° between them, whereas the carboxyl group has a dihedral angle of 20.2?(4)° with respect to the benzene ring.

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3,5-Bis[(pyridin-4-yl)meth-oxy]benzoic acid.

Project description:Single crystals of the title compound, C19H16N2O4, were obtained under hydro-thermal conditions by an unintended recrystallization of the employed microcrystalline starting material. The [(pyridin-4-yl)meth-oxy]benzoic acid unit is nearly planar, with a maximum deviation from the least-squares plane of 0.194?(2)?Å. This plane is inclined by 35.82?(6)° to that defined by the second (pyridin-4-yl)meth-oxy group [in which the largest deviation from the least-squares plane is 0.013?(2)?Å]. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds involving the acid hy-droxy group and a pyridine N atom into chains parallel to [-201].

| S-EPMC3588300 | biostudies-literature

2-(2,7-Dimeth-oxy-1-naphtho-yl)benzoic acid.

Project description:In the title compound, C(20)H(16)O(5), the dihedral angle between the naphthalene ring system and the benzene ring is 67.43?(5)°. The bridging carbonyl C-C(=O)-C plane makes dihedral angles of 82.64?(6) and 41.79?(7)°, respectively, with the naphthalene ring system and the benzene ring. The dihedral angle between the carb-oxy O-C(=O)-C plane and the benzene ring is 36.38?(7)° and that between the bridging carbonyl C-C(=O)-C plane and the carb-oxy O-C(=O)-C plane is 51.88?(8)°. The crystal structure is stabilized by inter-molecular O-H?O and C-H?O hydrogen-bonding inter-actions. An intra-molecular C-H?O hydrogen bond occurs between a naphthalene H atom and the carbonyl O atom of the carb-oxy group.

| S-EPMC2983668 | biostudies-literature

4-(2-Carboxy-benzo-yl)benzoic acid-4,4'-bipyridine (1/1).

Project description:In the heteromolecular title compound, C(15)H(10)O(5)·C(10)H(8)N(2), the two components are linked by O-H⋯N hydrogen bonds to form four-component ring supra-molecular assemblies. These are further inter-connected with neighbouring mol-ecules by weak inter-molecular C-H⋯π inter-actions and C-H⋯O hydrogen bonds to generate a three-dimensional network.

| S-EPMC2959970 | biostudies-literature

4-[(2-Carb-oxy-eth-yl)amino]-benzoic acid monohydrate.

Project description:In the title compound, C(10)H(11)NO(4)·H(2)O, the carboxyl group is twisted at a dihedral angle of 6.1?(3)° with respect to the benzene ring. In the crystal, the organic mol-ecules are linked by pairs of O-H?O hydrogen bonds involving both carboxyl groups, forming zigzag chains propagating along the b-axis direction. The water mol-ecules form [100] chains linked by O-H?O hydrogen bonds. The organic mol-ecule and water chains are cross-linked by N-H?O(water) and O(water)-H?O hydrogen bonds, generating (001) sheets.

| S-EPMC3344050 | biostudies-literature

4-(5-Hy-droxy-meth-yl-2-meth-oxy-phen-oxy)benzoic acid.

Project description:The title compound, C(15)H(14)O(5), crystallizes with two independent mol-ecules in the asymmetric unit in which the benzene rings are inclined at dihedral angles of 79.4?(1) and 84.2?(1)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into double chains propagating in [001].

| S-EPMC3089302 | biostudies-literature

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