Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2-amino-1,3-benzothia-zole-?N)dichloridozinc(II) ethanol hemisolvate.

ABSTRACT: In the title compound, [ZnCl(2)(C(7)H(6)N(2)S)(2)]·0.5CH(3)CH(2)OH, the Zn(II) atom is coordinated by two N atoms of two 2-amino-benzothia-zole ligands and two Cl atoms within a distorted tetra-hedral geometry. The dihedral angle between the N/Zn/N and Cl/Zn/Cl planes is 86.22?(7)°. The benzothia-zole mol-ecules are almost perpendicular to each other, forming a dihedral angle of 80.20?(8)°. The mol-ecular structure is stabilized by intra-molecular N-H?Cl hydrogen bonds. In the crystal, inter-molecular N-H?Cl hydrogen bonds link the mol-ecules into a three-dimensional network. The SQUEEZE procedure in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155] was used to model a disordered ethanol solvent mol-ecule; the calculated unit-cell data allow for the presence of half of this mol-ecule in the asymmetric unit.

SUBMITTER: Kim YI

PROVIDER: S-EPMC3274905 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis(2-amino-1,3-benzothia-zole-κN)dichloridozinc(II) ethanol hemisolvate.

Kim Young-Inn YI Kang Sung Kwon SK

Acta crystallographica. Section E, Structure reports online 20120121 Pt 2

In the title compound, [ZnCl(2)(C(7)H(6)N(2)S)(2)]·0.5CH(3)CH(2)OH, the Zn(II) atom is coordinated by two N atoms of two 2-amino-benzothia-zole ligands and two Cl atoms within a distorted tetra-hedral geometry. The dihedral angle between the N/Zn/N and Cl/Zn/Cl planes is 86.22 (7)°. The benzothia-zole mol-ecules are almost perpendicular to each other, forming a dihedral angle of 80.20 (8)°. The mol-ecular structure is stabilized by intra-molecular N-H⋯Cl hydrogen bonds. In the crystal, inter-mol ...[more]

PMID: 22346852

Similar Datasets

catena-Poly[lead(II)-bis-(μ-2-amino-1,3-benzothia-zole-6-carboxyl-ato)].

Project description:The title complex, [Pb(C(8)H(5)N(2)O(2)S)(2)](n), consists of one Pb(II) ion located on a crystallographic twofold axis and two symmetry-related 2-amino-1,3-benzothia-zole-6-carboxyl-ate (ABTC) ligands. The central Pb(II) ion has a (4 + 2) coordination by four O atoms of the two ABTC ligands and two weaker Pb-S bonding inter-actions (Pb-S secondary bonds) from S atoms of other two neighbouring ABTC ligands. These bonds link the metal ions into zigzag chains along the c axis, which, in turn, aggregate through π-π inter-actions [centroid-centroid distance = 3.7436 Å] between ABTC rings and N-H⋯O and N-H⋯N hydrogen bonds.

| S-EPMC3011691 | biostudies-literature

Tetra-?-acetato-bis-[(1,3-benzothia-zole)copper(II)](Cu-Cu).

Project description:The title compound, [Cu(2)(CH(3)CO(2))(4)(C(7)H(5)NS)(2)] or [(C(7)H(5)NS)Cu](2)(?-O(2)CCH(3))(4), crystallizes with one mol-ecule per unit cell. The coordination number of copper is six with four basal O atoms, one axial N atom and one axial Cu atom. Four acetate ligands act as bidentate linker and connect two Cu atoms, with a crystallographic inversion center located at the mid-point of the Cu-Cu bond. The acetate ligands form slightly distorted square planes around each metal ion, while the copper ions are displaced by 0.2089?(4)?Å from these planes towards the N atoms. Thus, the Cu-Cu distance is elongated to 2.6378?(7)?Å, compared with the 2.2180?(7)?Å distance between the two basal planes. The angle between the basal plane and the Cu-N bond is 4.84?(6)°.

| S-EPMC3212163 | biostudies-literature

2,2'-(Sulfanediyldimethyl-ene)bis-(1,3-benzothia-zole).

Project description:In the title compound, C(16)H(12)N(2)S(3), the two benzothia-zole groups are oriented differently with respect to the -CH(2)- groups, one being approximately staggered and one nearly eclipsed. A sulfur-π inter-action of 3.3627 (11) Å is observed between the bridging thio-ether S atom and a thia-zole ring. The crystal packing is further stabilized by inter-molecular C-H⋯N and C-H⋯π inter-actions.

| S-EPMC3052028 | biostudies-literature

Bis(2-amino-benzothia-zole-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:The Zn(II) ion in the title complex, [Zn(NCS)(2)(C(7)H(6)N(2)S)(2)], is tetra-hedrally coordinated within an N(4) donor set defined by two N atoms of two terminal isothio-cyanate ligands and by two heterocyclic N atoms of two different 2-amino-benzothia-zole ligands. This arrangement is stabilized by intra-molecular N-H⋯N hydrogen bonds. In the crystal structure, mol-ecules are linked through N-H⋯S hydrogen bonds to form a two-dimensional array.

| S-EPMC2969946 | biostudies-literature

2-(4-Amino-phen-yl)-1,3-benzothia-zole.

Project description:The title compound, C(13)H(10)N(2)S, contains two independent mol-ecules in its asymmetric unit, with slightly different conformations. In one mol-ecule, the dihedral angle between the benzothia-zole unit and the benzene ring is 6.73 (1)°, while the corresponding angle in the other mol-ecule is 1.8 (1)°. In the crystal structure, the mol-ecules are linked into layers by N-H⋯N hydrogen bonds.

| S-EPMC2959689 | biostudies-literature

Bis(1,3-benzothia-zole-2-thiol-ato)[(Z)-methyl 2-(2-amino-1,3-thia-zol-4-yl)-2-(methoxy-imino)acetate]nickel(II).

Project description:In the title compound, [Ni(C(7)H(4)NS(2))(2)(C(7)H(9)N(3)O(3)S)], the Ni(II) ion is in a slightly distorted N(4)S(2) octa-hedral coordination environment. The two benzothia-zole-2-thiol-ate ligands chelate via their thia-zole N and thiol-ate S atoms while the methyl 2-(2-amino-thia-zol-4-yl)-2-(methoxy-imino)acetate also acts as a chelate ligand binding through the thia-zole and imino N atoms. Intra-molecular N-H?N, C-H?N and C-H?O inter-actions contribute to the mol-ecular conformation. In the crystal structure, inter-molecular N-H?O hydrogen bonds produce R(1) (2)(6) rings and generate chains along the c axis. An extensive one-dimensional supra-molecular network of N-H?O hydrogen bonds and C-H?? inter-actions is responsible for the crystal structure stabilization.

| S-EPMC2979032 | biostudies-literature

Bis(2-amino-4-methyl-1,3-thia-zole-?N)dichloridocadmium(II).

Project description:In the title compound, [CdCl(2)(C(4)H(6)N(2)S)(2)], the Cd(II) atom is coordinated by two chlorido ligands and two N atoms of the 2-amino-5-methyl-1,3-thia-zole (amtz) ligands in a slightly distorted tetra-hedral coordination geometry. Intra- and inter-molecular N-H?Cl hydrogen bonding stabilizes the crystal structure. A weak S?Cl inter-action [3.533?(2)?Å] is observed between neighboring mol-ecules.

| S-EPMC2959461 | biostudies-literature

Bis(2-amino-1,3-benzothia-zol-3-ium) tetra-chloridozincate(II).

Project description:The asymmetric unit of the title compound, (C(7)H(7)N(2)S)(2)[ZnCl(4)], contains a network of 2-amino-benzothia-zolium cations and tetra-hedral [ZnCl(4)](2-) anions. The crystal packing is influenced by cation-to-anion N-H?Cl and C-H?Cl hydrogen bonds. The [ZnCl(4)](2-) anions have a distorded tetra-hedral geometry. Inter-molecular ?-? stacking inter-actions are present between neighboring benzene rings, thia-zole and benzene rings and neighboring thia-zole rings [centroid-centroid distances = 3.711?(2), 3.554?(1), 3.536?(2) and 3.572?(1)?Å].

| S-EPMC3120423 | biostudies-literature

Aqua-bis(2-amino-1,3-thia-zole-4-acetato-κO,N)nickel(II).

Project description:In the crystal structure of the title compound, [Ni(C(5)H(5)N(2)O(2)S)(2)(H(2)O)], the Ni(II) cation is located on a twofold rotation axis and chelated by two 2-amino-1,3-thia-zole-4-acetate (ata) anions in the basal coordination plane; a water mol-ecule located on the same twofold rotation axis completes the distorted square-pyramidal coordination geometry. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonding, as well as π-π stacking between parallel thia-zole rings [centroid-centroid distance 3.531 (8) Å], helps to stabilize the crystal structure.

| S-EPMC2969729 | biostudies-literature

Bis(2-amino-6-methyl-1,3-benzothia-zole-?N)bis-(4-nitro-benzoato-?O)zinc.

Project description:In the title mononuclear complex, [Zn(C(7)H(4)NO(4))(2)(C(8)H(8)N(2)S)(2)], the Zn(II) atom is coordinated by two N atoms from two 2-amino-6-methyl-1,3-benzothia-zole and by two carboxylate O atoms from two 4-nitro-benzoate ligands, adopting a slightly distorted tetra-hedral coordination geometry. In the crystal, inter-molecular N-H?O hydrogen bonds between the amino group of 2-amino-6-methyl-1,3-benzothia-zole and the carboxyl-ate group of 4-nitro-benzoate link these discrete mononuclear units into a one-dimensional supra-molecular chain extending parallel to [100].

| S-EPMC3151824 | biostudies-other

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