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Di-4-pyridyl sulfide-isophthalic acid (1/1).

ABSTRACT: In the heteromolecular title structure, C(10)H(8)N(2)S·C(8)H(6)O(4), the two components are linked by O-H?N hydrogen bonds to form a one-dimensional chain. These chains are further inter-connected by weak inter-molecular C-H?O hydrogen bonds and weak C-H?? inter-actions to generate a three-dimensional supra-molecular structure.

SUBMITTER: Qin JH

PROVIDER: S-EPMC2960055 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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Di-4-pyridyl sulfide-isophthalic acid (1/1).

Qin Jian-Hua JH Li Xiao-Dong XD Wang Jian-Ge JG

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

In the heteromolecular title structure, C(10)H(8)N(2)S·C(8)H(6)O(4), the two components are linked by O-H⋯N hydrogen bonds to form a one-dimensional chain. These chains are further inter-connected by weak inter-molecular C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions to generate a three-dimensional supra-molecular structure. ...[more]

PMID: 21581259

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Di-4-pyridyl disulfide-isophthalic acid (1/1).

Project description:In the title 1:1 cocrystal, C(10)H(8)N(2)S(2)·C(8)H(6)O(4), the asymmetric unit contains an isophthalic acid mol-ecule and a 4,4'-dipyridyl disulfide mol-ecule. The two carboxyl groups of isophthalic acid inter-act with neighbouring 4,4'-dipyridyl disulfide mol-ecules through O-H⋯N hydrogen bonds, forming a one-dimensional zigzag chain. Neighbouring chains are linked to each other via π-π stacking inter-actions between the pyridyl rings of adjacent 4,4'-dipyridyl disulfide mol-ecules [centroid-centroid distance = 3.7346 (6) Å], resulting in a layered motif. The dihedral angle between pyridine rings of 84.13 (7)° and the C-S-S-C torsion angle of 91.95 (1)° confirm the gauche conformation of 4,4'-dipyridyl disulfide.

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Dibromido(di-2-pyridyl sulfide-κN,N')zinc(II).

Project description:The molecule of the title compound, [ZnBr(2)(C(10)H(8)N(2)S)], contains a six-membered chelate ring in a boat conformation in which the Zn atom is coordinated by two Br atoms and by the two pyridyl N atoms of a single di-2-pyridyl sulfide (dps) ligand within a slightly distorted tetra-hedron. The dihedral angle between the pyridine rings is 52.7 (1)°. As is usual for this type of complex, the sulfide group does not participate in the zinc coordination.

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(Di-2-pyridyl sulfide-?N,N')diiodidozinc(II).

Project description:The title compound, [ZnI(2)(C(10)H(8)N(2)S)], contains a six-membered chelate ring adopting a boat conformation in which the Zn atom is coordinated by two iodide ions and by the two pyridyl N atoms of a single di-2-pyridyl sulfide ligand within a slightly distorted tetra-hedron. The Zn, S and I atoms are located on a crystallographic mirror plane. As usual for this type of complex, the sulfide group does not participate in zinc coordination. The dihedral angle between the two pyridine rings is 60.1?(1)°.

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Dichlorido(di-2-pyridyl sulfide-?N,N')zinc(II).

Project description:The crystal structure of the title compound, [ZnCl(2)(C(10)H(8)N(2)S)], consists of a six-membered chelate ring in which the Zn atom is approximately tetra-hedrally coordinated by two chloride ions and by the two pyridyl N atoms of a single di-2-pyridyl sulfide ligand. As usual for this type of complex, the sulfide group does not participate in zinc coordination. The dihedral angle between the two pyridine rings is 50.4 (1)°.

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Poly[dichloridobis(?(2)-di-4-pyridyl sulfide-?N,N')cobalt(II)].

Project description:In the title compound, [CoCl(2)(C(10)H(8)N(2)S)(2)](n), the Co(II) atom is located on an inversion centre and is six-coordinated by four N atoms of four symmetry-related di-4-pyridyl sulfide ligands, and two Cl atoms in trans positions, in a distorted octa-hedral geometry. The bridging bidentate di-4-pyridyl sulfide ligands link the Co(II) centres into a three-dimensional network. The four coordinating pyridine groups are donors and acceptors (N atoms) for intra-molecular C-H?N and C-H?Cl hydrogen bonds.

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Di-2-pyridyl disulfide-succinic acid (1/1).

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4-Nitro-isophthalic acid.

Project description:In the crystal structure of the title compound, C(8)H(5)NO(6), both carboxyl groups are involved in inter-molecular centrosymmetric cyclic O-H?O hydrogen-bonding associations, which give a zigzag chain structure extending along (2[Formula: see text]1). Weak ?-? stacking inter-actions are also present [minimum ring centroid separation = 3.893?(4)?Å].

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5-Fluoro-isophthalic acid.

Project description:In the crystal structure of the title compound, C(8)H(5)FO(4), the complete molecule is generated by crystallographic twofold symmetry with two C atoms and the F atom lying on the axis. The mol-ecule is almost planar with the carboxyl group twisted with respect to the mean plane of the benzene ring by a dihedral angle of 2.01 (1)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds and C-H⋯F inter-actions connect the mol-ecules into a two-dimensional supra-molecular array.

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A rare positively charged nicotinic acid di-sulfide: 2,2'-di-thio-dinicotinic acid hydro-chloride monohydrate.

Project description:The title compound {systematic name: 3-carb-oxy-2-[2-(3-carb-oxy-pyridin-2-yl)disulfan-1-yl)]pyridin-1-ium chloride monohydrate}, C12H9N2O4S2+·Cl-·H2O, crystallizes in the triclinic space group P . A pair of 2-mercaptonicotinic acid moieties is connected by a 2,2'-di-sulfide bond with a dihedral angle of 78.79 (3)°. One of the N atom is protonated, as are both carboxyl-ate groups, resulting in an overall +1 charge on the dimer. The structure comprises a zigzagging layer of the dimerized di-thio-dinicotinic acid rings, with charge-balancing chloride ions and water mol-ecules between the layers. Hydrogen bonding between the chloride and water sites with the dimer appears to hold the structure together. Nearest neighbor nicotinic acid rings are offset when viewed down the a axis, suggesting no added stability from ring stacking. The asymmetric unit corresponds to the empirical formula of the compound, and it packs with two formula units per unit cell.

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4,6-Dibromo-isophthalic acid monohydrate.

Project description:In the crystal structure of the title hydrate, C(8)H(4)Br(2)O(4)·H(2)O, O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10-2). The acid groups of the main mol-ecule and the water mol-ecule are all involved in the supra-molecular structure. The dihedral angles between the benzene ring and the acid groups are 37.8 (4) and 36.4 (5)°, while the dihedral angle between the acid groups is 10.9 (4)°.

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