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Catena-Poly[[bis-(nitrato-κO,O')copper(II)]-μ-2,2'-(ethane-1,2-diyldithio)di-1,3,4-thia-diazole-κN:N].

ABSTRACT: In the title compound, [Cu(NO(3))(2)(C(6)H(6)N(4)S(4))](n), the Cu(II) atom, occupying a crystallographic inversion centre, is six-coordinated by two N atoms of two 2,2'-[1,2-ethane-diyl-bis-(thio)]bis-[1,3,4-thia-diazole] ligands in trans positions, and four O atoms from two symmetry-related opposite nitrate anions, which are asymmetrically bonded, resulting in a strong distorted octa-hedral geometry of the central atom. The ethane group is equally disordered over two sites via another inversion centre. The bridging bidentate 2,2'-[1,2-ethanediylbis(thio)]bis-[1,3,4-thia-diazole] ligands link the Cu(II) centres into a one-dimensional chain. The chains are inter-connected via inter-molecular S⋯O inter-actions [3.044 (4) and 3.084 (5) Å] and weak C-H⋯O hydrogen bonds, generating a three-dimensional supra-molecular structure.

SUBMITTER: Huang HM

PROVIDER: S-EPMC2967916 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[[bis-[2,2'-(propane-1,3-diyl-dithio)bis-(1,3,4-thia-diazole)-?N]copper(II)]-bis-[?-2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole)-?N:N]] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C(7)H(8)N(4)S(4))(4)](ClO(4))(2)}(n), the Cu(II) atom, occupying a crystallographic inversion centre, is six-coordinated by six N atoms of three symmetry-related 2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole) (L) ligands in a slightly distorted octa-hedral geometry. The ligand L adopts two kinds of coordination modes in the crystal structure; one is a monodentate coordination mode and serves to complete the octa-hedral coordination of the Cu atom and the other is an N:N'-bidentate bridging mode in a trans configuration, bridging Cu atoms via translation symmetry along the b axis into a chain structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the chains into a three-dimensional network.

| S-EPMC2968698 | biostudies-literature

catena-Poly[[dichloridozinc(II)]-μ-2,5-di-4-pyridyl-1,3,4-thia-diazole-κN:N].

Project description:The title compound, [ZnCl(2)(C(12)H(8)N(4)S)](n), was obtained by crystallization of 2,5-di-4-pyridyl-1,3,4-thia-diazole with ZnCl(2) in an MeOH/CHCl(3) solvent system. The structure contains infinite chains of ZnCl(2) units connected by the bifunctional thia-diazole ligands, with Zn(II) adopting a distorted tetra-hedral coordination geometry. The dihedral angle between the two pyridyl rings in each ligand is 34.3 (1)°, and the dihedral angles between the thia-diazole ring and the two pyridyl rings are 18.3 (2) and 16.1 (2)°. The shortest Zn⋯Zn distance within each polymeric chain is 11.862 (3) Å, while the shortest inter-chain Zn⋯Zn distance is 7.057 (3) Å.

| S-EPMC2960333 | biostudies-literature

catena-Poly[[(nitrato-κO)(1,10-phenanthroline-κN,N')manganese(II)]-μ-nitrato-κO:O'].

Project description:In the crystal structure of the title compound, [Mn(NO(3))(2)(C(12)H(8)N(2))](n), the Mn(II) atoms are linked by nitrate ligands to form a chain. Each Mn(II) atom is five-coordinated by two N atoms of a 1,10-phenanthroline ligand and three O atoms of two nitrates within a trigonal-bipyramidal coordination geometry. In the crystal structure, the chains are linked by hydrogen bonds into a polymeric ribbon structure.

| S-EPMC2914918 | biostudies-literature

2,2'-Bi-1,3,4-thia-diazole-5,5'-diamine tetra-hydrate.

Project description:In the title compound, C(4)H(4)N(6)S(2)·4H(2)O, the complete organic mol-ecule is generated by crystallographic twofold symmetry and the dihedral angle between the aromatic rings is 10.24 (3)°. In the crystal, inter-molecular N-H⋯N, N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid separations = 3.530 (3) and 3.600 (3) Å] are observed.

| S-EPMC3007951 | biostudies-literature

catena-Poly[[tetra-aqua-zinc(II)]-?-1,3,4-thia-diazol-2,5-diyldithio-diacetato-?O:O'].

Project description:In the title linear coordination polymer, [Zn(C(6)H(4)N(2)O(4)S(3))(H(2)O)(4)](n), the Zn(II) atom is coordinated by four O atoms from four water mol-ecules and two O atoms from two [5-(carb-oxyl-atomethyl-sulfan-yl)-1,3,4-thia-diazol-2-ylsulfan-yl]acetate units in an octa-hedral coordination environment. The chains are linked into a three-dimensional supra-molecular network via O-H?O and O-H?N hydrogen bonds.

| S-EPMC2961446 | biostudies-literature

5,5'-Diethyl-2,2'-(triazene-1,3-di-yl)di-1,3,4-thia-diazole.

Project description:In the mol-ecule of the title compound, C(8)H(11)N(7)S(2), the conformation about the N=N bond is trans and the thia-diazole rings are oriented at a dihedral angle of 2.92 (3)°. In the crystal structure, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into chains. There are π-π contacts between the thia-diazole rings [centroid-to-centroid distances = 3.699 (3) and 3.720 (2) Å].

| S-EPMC2959579 | biostudies-literature

catena-Poly[(?-2-amino-1,3,4-thia-diazole-?N:N)di-?-chlorido-cadmium].

Project description:In the title coordination polymer, [CdCl(2)(C(2)H(3)N(3)S)](n), the Cd(II) cation is coordinated by four Cl(-) anions and two N atoms from two trans 2-amino-1,3,4-thia-diazole (L) ligands in a distorted octa-hedral geometry. The L ligand and Cl(-) anions bridge adjacent Cd cations, forming a polymeric chain along the b axis; the separation between adjacent Cd cations is 3.619?(1)?Å. In the crystal, the polymeric chains are inter-linking through N-H?Cl hydrogen bonds between the L ligands and Cl(-) anions.

| S-EPMC3212157 | biostudies-literature

Bis(2,2'-bipyridine-κN,N')(nitrato-κO)copper(II) perchlorate.

Project description:In the title compound, [Cu(NO(3))(C(10)H(8)N(2))(2)]ClO(4), the five-coordinated Cu(II) atom has a distorted square-pyramidal CuN(4)O environment; the O atom is in the axial position whereas the N atoms from two bipyridine (bipy) ligands are in the equatorial plane. In the crystal, mol-ecules are assembled by C-H⋯O hydrogen bonding and π-π inter-actions between bipy groups [centroid-centroid distances = 3.7686 (16) and 3.7002 (16) Å] into a three-dimensional network. The nitrite anion is equally disordered over two sets of sites.

| S-EPMC3051949 | biostudies-literature

2,2'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(sulfanedi-yl)]diaceto-nitrile.

Project description:In the title compound, C6H4N4S3, the 1,3,4-thia-diazole ring is essentially planar, with an r.m.s. deviation of 0.001 Å. The two N-C-S-C torsion angles in the mol-ecule are -23.41 (15) and 0.62 (14)°. One aceto-nitrile group is above the plane of the 1,3,4-thia-diazole ring and the other is below it, indicating syn and anti orientations. In the crystal, C-H⋯N hydrogen bonds link the molecules into ribbons along [010].

| S-EPMC3885093 | biostudies-literature

Diaqua-(2,5-di-4-pyridyl-1,3,4-thia-diazole-κN)bis-(thio-cyanato-κN)nickel(II) dihydrate.

Project description:In the title mononuclear complex, [Ni(NCS)(2)(C(12)H(8)N(4)S)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) atom is located on an inversion center and is octa-hedrally coordinated by four N atoms from two 2,5-di-4-pyridyl-1,3,4-thia-diazole (bpt) ligands and two thio-cyanate mol-ecules forming the equatorial plane; the axial positions are occupied by two O atoms of coordinated water mol-ecules. O-H⋯O, O-H⋯N and O-H⋯S hydrogen bonds, involving the uncoordinated water molecules, result in the formation of a sheet structure developing parallel to (021).

| S-EPMC2959476 | biostudies-literature

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