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Sodium 5-amino-1,3,4-thia-diazole-2-thiol-ate dihydrate.

ABSTRACT: There are two 5-amino-1,3,4-thia-diazole-2(3H)-thiolate anions in the asymmetric unit of the title compound, Na(+)·C(2)H(2)N(3)S(2) (-)·2H(2)O, which are almost perpendicular to each other [dihedral angle = 84.64 (6)°]. The two Na(+) cations are in distorted fourfold coordinations by O atoms of the water molecules. The crystal structure is stabilized by N-H⋯S, O-H⋯N and O-H⋯S hydrogen bonds.

SUBMITTER: Wu J

PROVIDER: S-EPMC2980096 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(2-amino-pyridinium) 5,5'-disulfanediylbis(1,3,4-thia-diazole-2-thiol-ate) monohydrate.

Project description:In the crystal of the title compound, 2C(5)H(7)N(2) (+)·C(4)N(4)S(6) (2-)·H(2)O, inter-molecular N-H?S and N-H?N hydrogen bonds link four cations and two dianions into a centrosymmetric cluster. The crystal packing is further consolidated by ?-? inter-actions between the five- and six-membered rings of neighbouring clusters [centroid-centroid distances = 3.692?(3), 3.718?(3), 3.660?(3) and 3.696?(3)?Å] and via O-H?N, O-H?S and N-H?O hydrogen bonds involving the uncoordinated water mol-ecules.

| S-EPMC3100049 | biostudies-literature

Bis(2-amino-5-methyl-1,3,4-thia-diazole-?N(3))dichloridocobalt(II).

Project description:In the monomeric title complex, [CoCl(2)(C(3)H(5)N(3)S)(2)], the Co(II) atom is tetra-coordinated by two chloride anions and two N atoms from two monodentate 2-amino-5-methyl-1,3,4-thia-diazole ligands, giving a slightly distorted tetra-hedral stereochemistry [bond angle range about Co = 105.16?(12)-112.50?(10)°]. In the complex, the dihedral angle between the 1,3,4-thia-diazole planes in the two ligands is 72.8?(1)°. There are two intra-molecular N-H?Cl inter-actions in the complex unit, while in the crystal, inter-molecular N-H?N and N-H?Cl hydrogen bonds link these units into a two-dimensional layered structure parallel to (011).

| S-EPMC3379105 | 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

[5-(4-Bromo-phenoxy-meth-yl)-1,3,4-thia-diazole-2-thiol-ato]triphenyl-tin(IV).

Project description:In title compound, [Sn(C(6)H(5))(3)(C(9)H(6)BrN(2)OS(2))], the Sn atom is five-coordinated and the 1,3,4-thia-diazole-2-thiol ligand acts as an S,N-bidentate chelating ligand. The five-coordinate Sn(IV) atom forms four primary bonds, three to the phenyl groups and one to the S atom. Thus, the title complex has a distorted cis-trigonal bipyramidal geometry with the S atom and two C atoms occupying the equatorial plane, whereas the N atom and another C atom are in axial positions. In addition, there is a weak intramolecular Sn⋯N interaction. The crystal structure involves weak intra-molecular C-H⋯N and inter-molecular C-H⋯Br hydrogen bonding.

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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

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

Project description:In the title compound, [Cu(NCS)(2)(C(12)H(8)N(4)S)(2)(H(2)O)(2)]·2H(2)O, the Cu atom is located on an inversion center and displays an octa-hedral geometry. Two N atoms of two different 2,5-di-4-pyridyl-1,3,4-thia-diazole ligands and two N atoms from two separate thio-cyanate mol-ecules form the equatorial plane, while two coordinated water mol-ecules are in axial positions. The crystal structure is consolidated by extensive hydrogen bonding, forming a two-dimensional network.

| S-EPMC2961085 | biostudies-literature

3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C15H12N2S2, the two phenyl rings and the planar (r.m.s. deviation = 0.002?Å) thia-diazole ring adopt a propeller conformation about the central C-H axis with H-C-C-C(phen-yl) torsion angles of 44 and 42° and an H-C-N-C(thia-diazole) torsion angle of 28°. Intra-molecular C-H?S and C-H?N contacts are observed. In the crystal, centrosymmetrically related mol-ecules associate through C-H?? inter-actions. These are connected into a supra-molecular chain along [101] by C-H?N inter-actions.

| S-EPMC3884419 | biostudies-literature

5-Eth-oxy-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C(4)H(6)N(2)OS(2), the dihedral angle between the five-membered heterocyclic ring and the plane of the eth-oxy group is 4.9?(2)°. The 1,3,4-thiadiazole-2-thione unit is planar, with an r.m.s. deviation of 0.011?Å from the corresponding squares plane defined by the seven constituent atoms. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into inversion dimers.

| S-EPMC3275248 | 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.

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5-[(E)-(5-Bromo-2-hy-droxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title mol-ecule, C(9)H(6)BrN(3)OS(2), the dihedral angle between the benzene ring and the five-membered ring is 5.5?(3)°. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, N-H?S hydrogen bonds link mol-ecules into centrosymmetric dimers creating R(2) (2)(8) ring motifs. In addition, there are inter-molecular S?S [3.430?(2)?Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113?(3):0.887?(3) for the components.

| S-EPMC3239069 | biostudies-literature

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