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2-[(2-Carboxy-phen-yl)disulfan-yl]benzoic acid-4,4'-bipyridyl N,N'-dioxide (1/2).

ABSTRACT: In the title 2:1 adduct, C(14)H(10)O(4)S(2)·0.5C(10)H(8)N(2)O(2), which arose from an unexpected oxidation of a precursor, the dihedral angle between the aromatic rings in the disulfide is 82.51?(11)°. In the crystal, the molecules are linked by O-H?O, O-H?N and C-H?O interactions, generating sheets.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC2979473 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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2-[(2-Carboxy-phen-yl)disulfan-yl]benzoic acid-4,4'-bipyridyl N,N'-dioxide (1/2).

Moreno-Fuquen Rodolfo R Ellena Javier J De Simone Carlos A CA Ribeiro Leandro L De Almeida Santos Regina Helena RH

Acta crystallographica. Section E, Structure reports online 20100526 Pt 6

In the title 2:1 adduct, C(14)H(10)O(4)S(2)·0.5C(10)H(8)N(2)O(2), which arose from an unexpected oxidation of a precursor, the dihedral angle between the aromatic rings in the disulfide is 82.51 (11)°. In the crystal, the molecules are linked by O-H⋯O, O-H⋯N and C-H⋯O interactions, generating sheets. ...[more]

PMID: 21579515

Similar Datasets

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

Potassium 2-[(2-carboxy-phen-yl)disulfan-yl]benzoate-2,2'-disulfanediyl-dibenzoic acid (1/1).

Project description:In the title compound, K(+)·C(14)H(9)O(4)S(2) (-)·C(14)H(10)O(4)S(2), the hydrogen 2,2'-dithio-dibenzoate and 2,2'-disulfane-diyl-di-ben-zoic acid species combine to provide an O(6)S(2) donor set to the potassium cation based on a cubic geometry. K⋯S [3.1733 (7) and 3.5499 (8) Å] and K⋯O [2.6586 (16)-3.0661 (15) Å)] inter-actions, coupled with O-H⋯O hydrogen bonding, lead to the formation of supra-molecular chains along [010].

| S-EPMC2971994 | biostudies-literature

2-Amino-benzoic acid-4-(pyridin-4-yl-disulfan-yl)pyridine (1/1).

Project description:The title 1:1 co-crystal, C(7)H(7)NO(2)·C(10)H(8)N(2)S(2), features a highly twisted 4-(pyridin-4-yldisulfan-yl)pyridine mol-ecule [dihedral angle between the pyridine rings = 89.06?(10)°]. A small twist is evident in the 2-amino-benzoic acid mol-ecule, with the C-C-C-O torsion angle being -7.7?(3)°. An N-H?O hydrogen bond occurs in the 2-amino-benzoic acid mol-ecule. In the crystal, mol-ecules are linked by O-H?N and N-H?N hydrogen bonds into a supra-molecular chain along the b axis. These are connected into layers by ?-? inter-actions occurring between pyridine rings [centroid-centroid distance = 3.8489?(15)?Å]. The layers are connected along the a axis by C-H?O contacts. The crystal studied was a racemic twin.

| S-EPMC3239006 | biostudies-literature

Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-4,4'-bipyridyl (2/1), 4-n-propoxybenzoic acid-4,4'-bipyridyl (2/1) and 4-n-but-oxy-benzoic acid-4,4'-bipyridyl (2/1).

Project description:The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-4,4'-bipyridyl (2/1), namely, 2C9H10O3·C10H8N2, (I), 2C10H12O3·C10H8N2, (II) and 2C11H14O3·C10H8N2, (III), have been determined at 93?K. Although the structure of (I) has been determined in the space group P21 with Z = 4 [Lai et al. (2008 ?). J. Struct. Chem. 49, 1137-1140], the present study shows that the space group is P21/n with Z = 4. In each crystal, the components are linked by O-H?N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 unit of (I) adopts nearly pseudo-C 2 symmetry, viz. twofold rotation around an axis passing through the mid-point of the central C-C bond of 4,4'-bipyridyl, while the units of (II) and (III), except for the terminal alkyl chains, have pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H?O hydrogen bonds, forming sheet, double-tape and tape structures, respectively.

| S-EPMC4645087 | biostudies-other

2-[(2-Carboxy-phen-yl)sulfan-yl]acetic acid.

Project description:The title compound, C(9)H(8)O(4)S, affords a zigzig chain in the crystal structure by inter-molecular O-H?O hydrogen bonds. The molecular geometry suggests that extensive but not uniform ?-electron delocalization is present in the benzene ring and extends over the exocyclic C-S and C-C bonds.

| S-EPMC2970427 | biostudies-literature

(2-Hydroxy-ethyl)(prop-yl)aza-nium 2-[(2-carboxy-phen-yl)disulfan-yl]benzoate monohydrate.

Project description:With the exception of the terminal hydr-oxy group [N-C-C-O = 53.8?(5)°], the cation of the title salt hydrate, C(5)H(14)NO(+)·C(14)H(9)O(4)S(2) (-.)H(2)O, is a straight chain. A twisted conformation is found for the anion [C-S-S-C = -87.44?(16)°]. In the crystal, the anions self-assemble into a helical supra-molecular chain via charge-assisted O-H?O(c) hydrogen bonds. These chains are connected into a three-dimensional network via N-H?O(c), N-H?O(w), O(h)-H?O(cb), and O(w)-H?O(c) hydrogen-bonding inter-actions (c = carboxyl-ate, w = water, h = hydr-oxy and cb = carbon-yl).

| S-EPMC2983894 | biostudies-other

N-Ethyl-N-phen-yl{[eth-yl(phen-yl)carbamothio-yl]disulfan-yl}carbothio-amide.

Project description:The asymmetric unit of the title compound, C(18)H(20)N(2)S(4), contains one half-mol-ecule, the complete molecule being generated by a twofold rotation axis. The plane through the NCS(2) group [maximum deviation = 0.01 (7) Å] is orthogonal to the phenyl ring, forming a dihedral angle of 89.4 (3)°. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

| S-EPMC3393985 | biostudies-literature

1-Methyl-2-({[(2-methyl-phen-yl)meth-yl]disulfan-yl}meth-yl)benzene.

Project description:In the title disulfide, C(16)H(18)S(2), the mol-ecule is twisted about the central S-S bond [the C-S-S-C torsion angle = 93.24?(7)°] and the dihedral angle between the benzene rings is 72.84?(7)°, indicating an almost orthogonal relationship; the methyl groups are orientated to the same side of the mol-ecule. The crystal packing features C-H?.? inter-actions which consolidate a three-dimensional architecture.

| S-EPMC3379504 | biostudies-literature

2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid.

Project description:The title compound, C(14)H(5)F(6)NO(3), was synthesized by condensation of tetra-fluoro-phthalic anhydride and 2,4-difluoro-aniline. It was then recrystallized from hexane to give a nonmerohedral twin with two crystallographically unique mol-ecules in the asymmetric unit. The refined twin fraction is 0.460?(3). Torsional differences between the aryl rings and the central amide group account for the presence of two unique mol-ecules. The compound packs as double tapes formed by O-H?O and N-H?O hydrogen-bonding inter-actions between each unique mol-ecule and its symmetry equivalents.

| S-EPMC2971039 | biostudies-literature

2-[(E)-(5-tert-Butyl-2-hydroxy-phen-yl)-diazen-yl]benzoic acid.

Project description:The title compound, C(17)H(18)N(2)O(3), is approximately planar, owing in part to an intra-molecular bifurcated O-H?(N,O) hydrogen bond; the dihedral angle between the two aromatic rings is 23.86?(9)°. In the crystal struture, centrosymmetrically related mol-ecules associate into dimers via the eight-membered carboxyl-ate {?H-O-C=O}(2) synthon.

| S-EPMC2959775 | biostudies-literature

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