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

ABSTRACT: 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.

SUBMITTER: Pakawatchai C

PROVIDER: S-EPMC3007951 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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 ?-? contacts between the thia-diazole rings [centroid-to-centroid distances = 3.699?(3) and 3.720?(2)?Å].

| S-EPMC2959579 | biostudies-literature

2,2'-Diamino-5,5'-dimethyl-4,4'-bi-1,3-thia-zolium tetra-chlorido-zincate(II).

Project description:In the dianion of the title compound, (C(8)H(12)N(4)S(2))[ZnCl(4)], the Zn(II) ion is in a slightly distorted tetra-hedral environment. In the cation, the mean planes of the thia-zole rings form a dihedral angle of 67.81?(6)?Å. In the crystal structure, anions and cations are linked into a three-dimensional network via inter-molecular N-H?Cl hydrogen bonds.

| S-EPMC2971375 | biostudies-literature

5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole).

Project description:The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36?(6)°. These mol-ecules are ?-stacked along the crystallographic a axis, with an inter-planar distance of 3.337?(1)?Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial ?-stack in both the long and short mol-ecular axis (the long mol-ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol-ecular center, the short mol-ecular axis is in the mol-ecular plane perpendicular to it). The slip distance along the long mol-ecular axis (S(1)) is 7.064?(1)?Å, nearly a two-ring-length displacement. The side slip (S(2), along the short mol-ecular axis) is 1.159?(8)?Å.

| S-EPMC3239005 | biostudies-literature

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

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

Bis(?-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate.

Project description:In the crystal structure of the title compound, [Pb(2)(C(4)H(5)NO(4))(2)(C(6)H(6)N(4)S(2))(2)]·4H(2)O, the dinuclear Pb(II) complex mol-ecule is centrosymmetric. The Pb atom is chelated by a tridentate imino-diacetate anion (IDA) and a diamino-bithia-zole (DABT) ligand, while a carboxyl-ate O atom from an adjacent IDA anion further bridges the Pb atom with a longer Pb-O bond [2.892?(3)?Å]. The lone-pair electrons of the Pb atom occupy an axial site in the ?-penta-gonal-bipyramidal coordination polyhedron. The IDA anion displays a facial configuration: its chelating five-membered rings assume an envelope configuration. Within the DABT ligand, the two thia-zole rings are twisted relative to each other, making a dihedral angle of 9.51?(17)°. Extensive N-H?O, O-H?O and weak C-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2983700 | 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

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

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

Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(pyridine-2,6-dicarboxyl-ato-?O,N,O)zinc tetra-hydrate.

Project description:The title compound, [Zn(C(7)H(3)NO(4))(C(6)H(6)N(4)S(2))(H(2)O)]·4H(2)O, assumes a distorted octa-hedral coordination geometry around the Zn(2+) cation, formed by a diamino-bithia-zole (DABT) mol-ecule, a pyridine-2,6-dicarboxyl-ate anion and a water mol-ecule. The pyridine-2,6-dicarboxyl-ate anion chelates to the Zn(II) atom with a facial configuration. Within the chelating DABT ligand, the two thia-zole rings are twisted by a dihedral angle of 14.52?(8)° with respect to each other. O-H?O and N-H?O hydrogen bonds occur in the crystal structure.

| S-EPMC3120585 | biostudies-literature

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