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Poly[[bis-(acetonitrile-?N)bis-[?(2)-2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole)-?N:N]copper(II)] bis-(perchlorate) acetonitrile solvate].

ABSTRACT: In the title compound, {[Cu(C(5)H(4)N(4)S(4))(2)(C(2)H(3)N)(2)](ClO(4))(2)·C(2)H(3)N}(n), the Cu(II) atom occupies a crystallographic inversion centre and is six-coordinated by six N atoms of four symmetry-related 2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole) (L) ligands and two acetonitrile mol-ecules in a slightly distorted octa-hedral geometry. The ligand L adopts an N:N'-bidentate bridging mode in a trans configuration, bridging the Cu atoms via translation symmetry, forming a two-dimensional layer-like structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the layers into a three-dimensional network. The ClO(4) (-) anion is disordered with an occupation ratio of 0.658:0.342.

SUBMITTER: Wang JG

PROVIDER: S-EPMC2968791 | 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

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

Project description:In the title compound, {[Cu(C(8)H(10)N(4)S(4))(3)](ClO(4))(2)}(n), the Cu(II) atom is located on a threefold inversion axis coordinated by six N atoms of symmetry-equivalent 2,2'-(butane-1,4-diyl-dithio)bis-(1,3,4-thia-diazole) ligands in a slightly distorted octa-hedral geometry. Adjacent Cu(II) atoms are linked by the bridging bidentate thia-diazole ligands, which are situated about inversion centers. This leads to the formation of a three-dimensional network structure.

| S-EPMC2968516 | biostudies-other

Poly[[{?(4)-2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-thia-diazole)}silver(I)] perchlorate sesquihydrate].

Project description:In the polymeric title compound, {[Ag(C(8)H(10)N(4)S(4))]ClO(4)·1.5H(2)O}(n), the Ag(I) atom has a slightly distorted trigonal-planar coordination geometry provided by three N-atom donors from the thia-diazole rings of three symmetry-related 2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-thia-diazole) ligands. Centrosymmetrically related Ag(I) atoms are bridged by the N-N fragments of rings, forming six-membered dinuclear metallacycles, which are further linked by the alkyl spacers of the thia-diazole ligands into a layer network extending parallel to (0-21). The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds. The O atoms of the perchlorate anion and one water mol-ecule are disordered over two sets of sites with refined occupancy ratios of 0.640?(6):0.360?(6) and 0.663?(11):0.337?(11), respectively. The second water molecule shows half-occupancy.

| S-EPMC3379184 | 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

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

Project description: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.

| S-EPMC2967916 | biostudies-literature

(4'-Ferrocenyl-2,2':6',2''-terpyridine-?N,N',N'')(1,10-phenanthroline-?N,N')copper(II) bis(perchlorate) acetonitrile solvate.

Project description:The title complex, [CuFe(C(5)H(5))(C(20)H(14)N(3))(C(12)H(8)N(2))](ClO(4))(2)·C(2)H(3)N, consists of a mononuclear [Cu(C(12)H(8)N(2))(C(25)H(19)FeN(3))](2+) cation, two ClO(4) (-) anions (one of which is disordered over two positions with equal occupancy) and one CH(3)CN solvent mol-ecule. The Cu(II) center has a distorted square-pyramidal coordination with three N atoms of the 4'-ferrocenyl-2,2':6',2''- terpyridine (fctpy) ligand and one 1,10-phenanthroline (phen) N atom in the basal plane and a second phen N atom in the apical position with an axial distance of 2.254?(4)?Å. The disordered ClO(4) (-) anion is weakly coordin-ated to the Cu(II) ion with a Cu-O distance of 2.766?(11)?Å. The two cyclo-penta-dienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.7?(1) °, and are involved in inter-molecular ?-? inter-actions with the outer pyridyl rings of the fctpy ligands [centroid-centroid distance = 3.759?(2)?Å.].

| S-EPMC2969231 | 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

Octa-kis[2,2',5,5'-tetra-thia-fulvalenium(0.5+)] bis-[hexa-molybdate(2-)] acetonitrile solvate.

Project description:The asymmetric unit of the title compound, (C(6)H(4)S(4))(8)[Mo(6)O(19)](2)·CH(3)CN, contains two halves of two centrosymmetric [Mo(6)O(19)](2-) hexa-molybdate anions, which are each built up from six distorted MoO(6) octa-hedra sharing common edges and one common vertex at the central O atom, six tetra-thia-fulvalene cations (three of which are located on mirror planes) to balance the charge and a half of an acetonitrile solvent mol-ecule, likewise located on a mirror plane. The two central hexa-molybdate O atoms occupy special positions 2a and 2d, respectively. The cations and anions are inter-linked through C-H?O contacts.

| S-EPMC2970104 | biostudies-literature

N,N-Bis(quinolin-8-yl)-2,2'-[(1,3,4-thia-diazole-2,5-di-yl)bis-(sulfanedi-yl)]diacetamide monohydrate.

Project description:In the title compound, C(24)H(18)N(6)O(2)S(3)·H(2)O, the thia-diazole ring makes dihedral angles of 78.00 (13) and 77.27 (13)° with the quinoline ring systems. In the crystal, mol-ecules are linked into a two-dimensional network by O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3238945 | biostudies-literature

trans-Bis[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]bis-(methanol-?O)iron(II) bis-(perchlorate).

Project description:The title compound, [Fe(C12H8N4S)2(CH3OH)2](ClO4)2, crystallized in the solvent-free form from a methanol solution. The Fe(II) ion is located on a centre of inversion. The distorted N4O2 octa-hedral coordination geometry is formed by two N,N'-chelating equatorial 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands and axially coordinating methanol coligands, resulting in the mononuclear trans-(N (2),N (3),O)2 coordination mode. The methanol co-ligand is involved in a hydrogen bond to the perchlorate counter-ion.

| S-EPMC4120561 | biostudies-literature

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