Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[(2-amino-1,3-benzothia-zole-6-carboxyl-ato-?(2)O,O')(2,2'-bipyridyl-?(2)N,N')cadmium]-?-2-amino-1,3-benzothia-zole-6-carboxyl-ato-?(3)N(1):O,O'].

ABSTRACT: In the title coordination polymer, [Cd(C(8)H(5)N(2)O(2)S)(2)(C(10)H(8)N(2))](n), the Cd(II) ion is coordinated by a bidentate 2,2-bipyridyl ligand, two O,O'-chelating 2-amino-1,3-benzothia-zole-6-carboxyl-ate (ABTC) ligands and one N-bonded ABTC ligand. The resulting CdN(3)O(4) coordination polyhedron approximates to a very distorted penta-gonal bipramid with one O and one N atom in axial positions. One of the ABTC ligands is bridging to an adjacent metal atom, generating an infinite chain propagating in [100]. A three-dimensional network is constructed from N-H?O and N-H?N hydrogen bonds and aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.641?(2) and 3.682?(3)?Å].

SUBMITTER: Gao D

PROVIDER: S-EPMC3344366 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

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

2,2'-Hexamethyl-enedi-1,3-benzothia-zole.

Project description:The title compound, C(20)H(20)N(2)S(2), was prepared by the reaction of suberic acid and 2-amino-thio-phenol under microwave irradiation. The mol-ecule lies on an inversion center.

| S-EPMC2968253 | 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

Ethyl 2-(tert-butoxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxyl-ate.

Project description:In the crystal of the title compound, C(15)H(18)N(2)O(4)S, inversion dimers are formed by inter-molecular N-H?N hydrogen bonds and weak C-H?O contacts. These dimers stack up along [100] through inversion-related ?-? inter-actions between thia-zole rings [centroid-centroid distance = 3.790?(2)?Å] and the thia-zole and benzene rings [centroid-centroid distance = 3.845?(2)?Å] and C-H?? contacts.

| S-EPMC2984018 | 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

catena-Poly[[diaqua-(1,2,3-benzothia-diazole-7-carboxyl-ato-?O)copper(II)]-?-1,2,3-benzothia-diazole-7-carboxyl-ato-?N:O].

Project description:In the polymeric title complex, [Cu(C(7)H(3)N(2)O(2)S)(2)(H(2)O)(2)](n), the Cu(II) centre is surrounded by three 1,2,3-benzothia-diazole-7-carboxyl-ate and two water mol-ecules. A 1,2,3-benzothia-diazole-7-carboxyl-ate ligand bridges two Cu(II) centres, with a Cu?Cu distance of 9.006?(2)?Å. The four O atoms in the equatorial planes around each Cu(II) centre form a distorted square-planar arrangement, while the distorted square-pyramidal coordination is completed by the symmetry-related N atoms of the bridging 1,2,3-benzothia-diazole-7-carboxyl-ate ligands. In the crystal structure, inter-molecular O-H?O and O-H?N hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC2970341 | biostudies-literature

2-[3-(1,3-Benzothia-zol-2-yl)-2,2-di-methyl-prop-yl]-2-methyl-2,3-di-hydro-1,3-benzothia-zole.

Project description:In the title compound, C(20)H(22)N(2)S(2), the five-membered thia-zole ring of the 2-methyl-2,3-dihydro-1,3-benzothia-zole unit has an envelope conformation. The dihedral angle between the planar [maximum deviation of 0.014?(1)?Å for the S atom] benzothia-zole ring system and the benzene ring is 78.37?(12)°. Two intra-molecular C-H?S hydrogen bonds are observed, forming rings of graph-set motif S(6). In the crystal, the molecules are consolidated in pairs through N-H?N hydrogen bonds and are arranged parallel to the b axis.

| S-EPMC3414284 | biostudies-literature

catena-Poly[[(2,2'-dimethyl-4,4'-bi-1,3-thia-zole-?N,N')cadmium]-di-?-bromido].

Project description:In the title coordination polymer, [CdBr(2)(C(8)H(8)N(2)S(2))](n), the Cd(II) atom is six-coordinated in a distorted octa-hedral geometry by two N atoms from a 2,2'-dimethyl-4,4'-bi-1,3-thia-zole ligand and four bridging Br atoms. The bridging function of the Br atoms leads to a chain structure along [100]. Inter-chain C-H?Br hydrogen bonds and ?-? contacts between the thia-zole rings [centroid-centroid distances = 3.810?(5) and 3.679?(5)?Å] are observed.

| S-EPMC3152112 | biostudies-other

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

2-Amino-6-methyl-1,3-benzothia-zole-deca-nedioic acid (2/1).

Project description:Co-crystallization of 2-amino-6-methyl-1,3--benzothia-zole with deca-nedioic acid under hydro-thermal conditions afforded the title 2:1 co-crystal, 2C(8)H(8)N(2)S·C(10)H(18)O(4). The deca-nedioic acid mol-ecule is located on an inversion centre. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds connect the components into a two-dimensional wave-like layer structure extending parallel to (100).

| S-EPMC2970063 | 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