Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Hosseinian A

PROVIDER: S-EPMC2971375 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Hosseinian Akram A Mahjoub Ali Reza AR

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

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. ...[more]

PMID: 21578184

Similar Datasets

2,2'-Diamino-4,4'-bi-1,3-thia-zolium bis-(3-nitro-benzoate).

Project description:In the title salt, C(6)H(8)N(4)S(2) (2+)·2C(7)H(4)NO(4) (-), the diprotonated diamino-bithia-zole dication is located on an inversion center. The carboxyl-ate group of the anion is twisted with respect to the benzene ring, with a dihedral angle of 13.6?(4)°. N-H?O hydrogen bonds involving the amino and ammonium groups of the dication and the carboxyl-ate functionality of the anion generate supra-molecular chains in the crystal.

| S-EPMC2968686 | biostudies-literature

[(E)-But-2-enoato-?O]chlorido(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)zinc(II) monohydrate.

Project description:In the title compound, [Zn(C(4)H(5)O(2))Cl(C(6)H(6)N(4)S(2))]·H(2)O, the Zn(II) cation is coordinated by a bidentate diamino-bithia-zole (DABT) ligand, a but-2-enoate anion and a Cl(-) anion in a distorted tetra-hedral geometry. Within the DABT ligand, the two thia-zole rings are twisted to each other at a dihedral angle of 4.38?(10)°. An intra-molecular N-H?O inter-action occurs. The centroid-centroid distance of 3.6650?(17)?Å and partially overlapped arrangement between nearly parallel thia-zole rings of adjacent complexes indicate the existence of ?-? stacking in the crystal structure. Extensive O-H?Cl, O-H?O, N-H?Cl and N-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2984061 | biostudies-literature

(2,2'-Dimethyl-4,4'-bi-1,3-thia-zole-?N,N')diiodidomercury(II).

Project description:In the title compound, [HgI(2)(C(8)H(8)N(2)S(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral geometry by two N atoms from a 2,2'-dimethyl-4,4'-bithia-zole ligand and two I atoms. In the crystal structure, adjacent mol-ecules are connected by ?-? contacts between the thia-zole rings [centroid-centroid distance = 3.591?(3)?Å].

| S-EPMC3007489 | biostudies-literature

Dibromido(2,2'-dimethyl-4,4'-bi-1,3-thia-zole-?N,N')mercury(II).

Project description:The asymmetric unit of the title compound, [HgBr(2)(C(8)H(8)N(2)S(2))], contains two crystallographically independent mol-ecules. The Hg(II) atoms are four-coordinated in a distorted tetra-hedral geometry by two N atoms from a 2,2'-dimethyl-4,4'-bi-1,3-thia-zole ligand and two Br atoms. In the crystal structure, inter-molecular C-H?Br hydrogen bonds and ?-? contacts between the thia-zole rings [centroid-centroid distances = 3.670?(3) and 3.614?(2)?Å] stabilize the structure.

| S-EPMC3050124 | 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

Bis(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)bis-(nitrato-?O)lead(II) dihydrate.

Project description:In the title compound, [Pb(NO(3))(2)(C(6)H(6)N(4)S(2))(2)]·2H(2)O, the Pb(II) cation is N,N'-chelated by two 2,2'-diamino-4,4'-bi-1,3-thia-zole (DABT) ligands and further is cis coordinated by two nitrate anions in a distorted PbN(4)O(2) octa-hedral geometry. One of the uncoordinated water mol-ecules is close to an inversion center and is disordered equally over two sites. Intra-molecular N-H?N and N-H?O inter-actions are present. An extensive hydrogen-bonding network of types N-H?O, O-H?O, O-H?N and O-H?S consolidates the crystal structure.

| S-EPMC2977107 | 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

Crystal structure of 2,2'-bi-pyridine-1,1'-diium tetra-chlorido-zincate.

Project description:In the crystal structure of the title salt, (C10H10N2)[ZnCl4], the bi-pyridine-diium dication is not planar, with a dihedral angle of 37.21 (9)° between the planes of the two pyridine rings. In the crystal, the slightly distorted [ZnCl4](2-) anions are packed into rods parallel to [001], with the organic cations arranged in corrugated layers parallel to (100). Cations and anions are linked through N-H⋯Cl hydrogen bonds, forming chains parallel to [20-1]. Additional C-H⋯Cl inter-actions consolidate the crystal packing.

| S-EPMC4350760 | biostudies-literature

(2,2'-Dimethyl-4,4'-bi-1,3-thia-zole-κN,N')bis(thio-cyanato-κS)mercury(II).

Project description:The Hg(II) atom in the title compound, [Hg(SCN)(2)(C(8)H(8)N(2)S(2))], is chelated by the bidentate heterocycle through the N atoms and is coordinated by the S atoms of two thiocyanate anions, resulting in a considerably distorted tetra-hedral coordination geometry.

| S-EPMC2969049 | biostudies-literature

Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(thio-diacetato-?O,S,O')nickel(II) monohydrate.

Project description:In the title compound, [Ni(C(4)H(4)O(4)S)(C(6)H(6)N(4)S(2))(H(2)O)]·H(2)O, the Ni(II) cation assumes a distorted octa-hedral coordination geometry formed by a diamino-bithia-zole (DABT) ligand, a thio-diacetate (TDA) dianion and a coordinated water mol-ecule. The tridentate TDA chelates to the Ni cation in a facial configuration, and both chelating rings display the envelope conformations. The two thia-zole rings of the DABT ligand are twisted with respect to each other, making a dihedral angle of 9.96?(9)°. Extensive O-H?O, N-H?O and weak C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3120560 | 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