Browse
Submit Data
Databases
API
Help

Dataset Information

53 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Chen LJ

PROVIDER: S-EPMC2960333 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Chen Li-Juan LJ Yang Ming-Xing MX Chen Xiao-Hua XH Lin Shen S

Acta crystallographica. Section E, Structure reports online 20080123 Pt 2

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 ri ...[more]

PMID: 21201344

Similar Datasets

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

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

catena-Poly[[aquanickel(II)]-μ-pyridine-2,6-dicarboxylato-[aquanickel(II)]-μ-2,5-di-4-pyridyl-1,3,4-thiadiazole].

Project description:The two independent Ni(II) ions in the one-dimensional title complex, [Ni(2)(C(7)H(3)NO(4))(2)(C(12)H(8)N(4)S)(H(2)O)(2)](n) or [Ni(2)(pydc)(2)(bpt)(H(2)O)(2)](n) (H(2)pydc = pyridine-2,6-dicarboxylic acid and bpt = 2,5-di-4-pyrid-yl-1,3,4-thia-diazole), have different coordination environments. One Ni(II) ion is in a slightly-distorted octa-hedral coordination environment formed by three O atoms from two adjacent pydc ligands, two N atoms from bpt and pydc ligands, and one water mol-ecule, while the other Ni(II) ion is in distorted square-pyramidal geometry, coordinated by two O atoms from two carboxyl-ate groups and two N atoms from the pyridine rings of the pydc and bpt ligands in the basal plane, while a coordinated water mol-ecule occupies the apical site. In the crystal structure, the H atoms of both water mol-ecules are involved in inter-molecular hydrogen bonds with the O atoms of uncoordinated carboxyl-ate groups, which link chains into a three-dimensional network.

| S-EPMC2977561 | 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

4,4'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(thio-methyl-ene)]dibenzonitrile.

Project description:The title mol-ecule, C(18)H(12)N(4)S(3), consists of three essentially planar fragments, viz. two methyl-substituted benzonitrile rings and a substituted thia-diazole ring. The dihedral angles between the substituted benzonitrile rings and the central thia-diazole ring are 28.29 (10) and 78.83 (6)°, and the dihedral angle between the two benzonitrile rings is 72.89 (7)°.

| S-EPMC2962212 | 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

5,5'-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

2,5-Bis[(3-chloro-benz-yl)sulfan-yl]-1,3,4-thia-diazole.

Project description:The complete mol-ecule of the title compound, C(16)H(12)Cl(2)N(2)S(3), is generated by crystallographic twofold symmetry, with the S atom of the thiadiazole ring lying on the rotation axis. The dihedral angle between the mean planes of the 1,3,4-thia-diazole and benzene rings is 87.19 (7)°. In the crystal, mol-ecules are linked by C-H⋯N inter-actions and short S⋯S contacts [3.3389 (9) Å] occur.

| S-EPMC3379226 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data