Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of bis-(azido-?N)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]cobalt(II).

ABSTRACT: In the mononuclear title complex, [Co(N3)2(C12H8N4S)2], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thia-diazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273?(16)?Å. The cohesion of the crystal is ensured by weak C-H?N hydrogen bonds and by ?-? inter-actions between pyridine rings [inter-centroid distance = 3.6356?(11)?Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachir et al. (2013 ?). Acta Cryst. E69, m351-m352].

SUBMITTER: Laachir A

PROVIDER: S-EPMC4420119 | biostudies-other | 2015 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of bis-(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]cobalt(II).

Laachir Abdelhakim A Bentiss Fouad F Guesmi Salaheddine S Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Crystallographic communications 20150409 Pt 5

In the mononuclear title complex, [Co(N3)2(C12H8N4S)2], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thia-diazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.02 ...[more]

PMID: 25995853

Similar Datasets

trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]cobalt(II) bis-(tetra-fluoridoborate).

Project description:The bidentate 1,3,4-thia-diazole ligand substituted by two 2-pyridyl rings (denoted L) has been found to produce the new monomeric title complex, [Co(C(12)H(8)N(4)S)(2)(H(2)O)(2)](BF(4))(2). The thia-diazole and pyridyl rings surrounding the Co atom are almost coplanar [dihedral angle = 4.35?(7)°]. The mean plane defined by these heterocyclic moieties makes a dihedral angle of 18.72?(6)° with the non-coordinated pyridyl ring. The Co(2+) cation, located at a crystallographic center of symmetry, is bonded to two ligands and two water mol-ecules in a trans configuration in an octa-hedral environment. The tetra-fluorido--borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network along the [010] and [101] directions of O-H?F hydrogen bonds.

| S-EPMC3151744 | biostudies-literature

Crystal structure of bis-(azido-?N)bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]nickel(II).

Project description:Reaction of 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole and sodium azide with nickel(II) triflate yielded the mononuclear title complex, [Ni(N3)2(C12H8N4S)2]. The Ni(II) ion is located on a centre of symmetry and is octa-hedrally coordinated by four N atoms of the two bidentate heterocyclic ligands in the equatorial plane. The axial positions are occupied by the N atoms of two almost linear azide ions [N-N-N = 178.8?(2)°]. The thia-diazole and pyridine rings of the heterocyclic ligand are almost coplanar, with a maximum deviation from the mean plane of 0.0802?(9)?Å. The cohesion of the crystal structure is ensured by ?-? inter-actions between parallel pyridine rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.6413?(14)?Å], leading to a layered arrangement of the mol-ecules parallel to (001).

| S-EPMC4384553 | biostudies-literature

trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]nickel(II) bis-(tetra-fluoridoborate).

Project description:The bidentate 1,3,4-thia-diazole ligand, namely, 2,5-bis-(2-pyrid-yl)-1,3,4-thia-diazole (denoted L), untested as a polydentate ligand, has been found to form the monomeric title complex, [Ni(C(12)H(8)N(4)S)(2)(H(2)O)(2)](BF(4))(2). The complex shows an octa-hedral environment of the nickel cation in which the Ni(2+) ion is located on a center of symmetry, linked to two ligands and two water molecules. In this 1:2 complex (one metal for two organic ligands) each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for chelate binding. In the second pyridyl substituent, the N atom is oriented towards the same direction as the S atom of the 1,3,4-thiadiazole ring. The mean plane of the thia-diazole and pyridyl rings linked to the nickel cation forms a dihedral angle with the other pyridine ring of 18.63?(8)°. The tetra-fluorido-borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network parallel to ([Formula: see text]01) through O-H?F hydrogen bonds.

| S-EPMC3212138 | 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

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

Crystal structure of bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]bis-(thio-cyanato-κS)copper(II).

Project description:The mononuclear title complex, [Cu(SCN)2(C12H8N4S)2], was obtained by the reaction of 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole and potassium thio-cyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by the S atoms of two thio-cyanate anions. The thia-diazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190 (2) Å. The cohesion of the crystal structure is ensured by weak C-H⋯N hydrogen bonds and π-π inter-actions between parallel pyridyl rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.663 (2) Å], leading to a three-dimensional network.

| S-EPMC4971866 | 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

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

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

Aqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2)N(2),N(3)](trifluoro-methane-sulfonato-?O)copper(II) trifluoro-methane-sulfonate.

Project description:2,5-Bis(pyridin-2-yl)-1,3,4-thia-diazole (denoted L) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF(3)O(3)S)(C(12)H(8)N(4)S)(2)(H(2)O)](CF(3)O(3)S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thia-diazole ligands, one water mol-ecule and one trifluoro-methane-sulfonate anion. The second trifluoro-methane-sulfonate anion does not coordinate the copper(II) cation. Each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thia-diazole ring as the S atom. The trifluoro-methane-sulfonate ions are involved in a three-dimensional network of O-H?O hydrogen bonds. C-H?N inter-actions also occur.

| S-EPMC3343784 | 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