Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[zinc-bis-(?-2-sulfido-1H-benzimidazol-3-ium-5-carboxyl-ato)-?O:S;?S:O] trihydrate].

ABSTRACT: In the title compound, {[Zn(C(8)H(5)N(2)O(2)S)(2)]·3H(2)O}(n), the Zn(II) atom, lying on a twofold rotation axis, is four-coordinated by two S atoms and two O atoms from four 2-sulfido-1H-benzimidazol-3-ium-5-carboxyl-ate (H(2)mbidc) ligands in a distorted tetra-hedral geometry. Two H(2)mbidc ligands bridge two Zn(II) atoms, generating a double-chain along [[Formula: see text]01]. Adjacent chains are linked by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network. One of the two water molecules also lies on a twofold rotation axis.

SUBMITTER: Li YP

PROVIDER: S-EPMC3099766 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[zinc-bis-(μ-2-sulfido-1H-benzimidazol-3-ium-5-carboxyl-ato)-κO:S;κS:O] trihydrate].

Li Ya-Ping YP Sun Da-Jun DJ Zang Hu H Han Li-Ying LY Su Guan-Fang GF

Acta crystallographica. Section E, Structure reports online 20110305 Pt 4

In the title compound, {[Zn(C(8)H(5)N(2)O(2)S)(2)]·3H(2)O}(n), the Zn(II) atom, lying on a twofold rotation axis, is four-coordinated by two S atoms and two O atoms from four 2-sulfido-1H-benzimidazol-3-ium-5-carboxyl-ate (H(2)mbidc) ligands in a distorted tetra-hedral geometry. Two H(2)mbidc ligands bridge two Zn(II) atoms, generating a double-chain along [[Formula: see text]01]. Adjacent chains are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network. O ...[more]

PMID: 21753933

Similar Datasets

catena-Poly[[triaqua-zinc(II)]-?-1H-1,2,4-triazole-3,5-dicarboxyl-ato].

Project description:In the title compound, [Zn(C(4)HN(3)O(4))(H(2)O)(3)](n), each Zn(II) atom adopts a distorted octa-hedral coordination geometry, being surrounded by one chelating and one monodentate 1H-1,2,4-triazole-3,5-dicarboxyl-ate ligand and three water mol-ecules. Adjacent Zn(II) cations are linked by a 1H-1,2,4-triazole-3,5-dicarboxyl-ate ligand in a ?(2),?(3) fashion to form a chain running along the c axis. The crystal packing is stabilized by N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC2960531 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-?N,O)zinc trihydrate.

Project description:In the crystal structure of the title compound, [Zn(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·3H(2)O, the Zn(II) ion, located an inversion center, is N,O-chelated by two 5-carb-oxy-2-ethyl-1H-imidazole-4-carboxyl-ate anions and further coordinated by two water mol-ecules in a distorted octa-hedral geometry. The carb-oxy group links with the carboxyl-ate group of the same ligand via an intra-molecular O-H?O hydrogen bond. An extensive inter-molecular N-H?O and O-H?O hydrogen-bonded network exists in the crystal structure. One disordered lattice water mol-ecule is half-occupied and is located close to an inversion center.

| S-EPMC3120609 | biostudies-literature

catena-Poly[[[triaqua-europium(III)]-?-(1H-benzimidazole-5,6-dicarboxyl-ato-?O:O)-?-(1H,3H-benzimidazol-3-ium-5,6-dicarboxyl-ato-?O:O,O)] dihydrate].

Project description:In the title one-dimensional coordination polymer, {[Eu(C(9)H(4)N(2)O(4))(C(9)H(5)N(2)O(4))(H(2)O)(3)]·2H(2)O}(n), one of the 1H-benzimidazole-5,6-dicarboxyl-ate (Hbdc) ligands is protonated at the imidazole group (H(2)bdc). The Eu(III) ion is eight-coordinated by two O atoms from two Hbdc ligands, three O atoms from two H(2)bdc ligands and three water mol-ecules, showing a distorted square-anti-prismatic geometry. The Eu(III) ions are bridged by the carboxyl-ate groups of the Hbdc and H(2)bdc ligands, forming a chain along [110], with an Eu?Eu separation of 5.4594?(3)?Å. These chains are further connected by inter-molecular O-H?O, N-H?O and N-H?N hydrogen bonds, as well as ?-? inter-actions between the imidazole and benzene rings [centroid-centroid distances = 3.558?(3), 3.906?(2), 3.397?(3), 3.796?(2) and 3.898?(2)?Å], into a three-dimensional supra-molecular network.

| S-EPMC3200846 | biostudies-other

catena-Poly[zinc(II)-?-aqua-?O:O-bis-(?-quinoline-4-carboxyl-ato-?O:O')].

Project description:The asymmetric unit of the title complex, [Zn(C(10)H(6)NO(2))(2)(H(2)O)](n), consists of one quinoline-4-carboxyl-ate anion, half of a Zn(2+) cation and half of a coordinated water mol-ecule. The cation and the water O atom have crystallographically imposed inversion and twofold rotation symmetry, respectively. The metal centre displays an elongated ZnO(6) octa-hedral coordination geometry provided by the O atoms of four anions at the equatorial plane and two axial water mol-ecules. Each anion and water mol-ecule act as bridges between Zn(II) cations, forming a polymeric chain parallel to [001]. The chains are further linked into a three-dimensional framework through O-H?N hydrogen bonds.

| S-EPMC2977275 | biostudies-literature

catena-Poly[[diaqua-strontium]-bis-(?-quinoline-3-carboxyl-ato)].

Project description:The title compound, [Sr(C(10)H(6)NO(2))(2)(H(2)O)(2)](n), contains an eight-coordinate Sr(II) ion displaying a distorted square-anti-prismatic geometry, two quinoline-3-carboxyl-ate ligands and two terminal water mol-ecules. The Sr(II) atom is surrounded by six carboxyl-ate O atoms from four separate quinoline-3-carboxyl-ate ligands and two O atoms from two coordinated water mol-ecules. The bridging carboxyl-ate O atoms [Sr-O = 2.498?(3) and 2.495?(3)?Å] link Sr(II) atoms, forming a chain substructure extending along the c axis. The chains are linked by O-H?N and O-H?O hydrogen bonds, giving a three-dimensional framework structure.

| S-EPMC3201418 | biostudies-literature

catena-Poly[tris-(?(2)-1H-benzimidazole-5-carboxyl-ato)europium(III)].

Project description:In the title one-dimensional coordination polymer, [Eu(C(8)H(5)N(2)O(2))(3)](n), the Eu(III) ion is eight-coordinated by the carboxyl-ate O atoms of six ligands in a distorted monocapped penta-gonal-bipyramidal geometry. The ligands link Eu(III) ions, forming helical chains parallel to the c axis, with Eu?Eu separations of 4.0678?(11)?Å. The chains are further inter-connected by N-H?N hydrogen bonds into a three-dimensional supra-molecular network. The crystal studied was a racemic twin, as suggested by the Flack parameter of 0.367?(14).

| S-EPMC3050161 | biostudies-other

catena-Poly[[(diaqua-zinc)-?-3-carb-oxy-pyrazine-2-carboxyl-ato-?N,O;N,O] nitrate].

Project description:The crystal structure of the title compound, {[Zn(C(6)H(3)N(2)O(4))(H(2)O)(2)]NO(3)}(n), is built of zigzag cationic chains propagating in [010] with nitrate anions located in the space between the chains. The Zn(II) ion is coordinated by N and O atoms of two symmetry-related ligands in equatorial sites, and by two water O atoms at the axial sites of a distorted octa-hedron. One carboxyl-ate group of the ligand remains protonated, serving as a donor in a short intra-molecular O-H?O hydrogen bond. The coordinated water mol-ecules are donors and the nitrate O atoms act as acceptors in a network of O-H?O hydrogen bonds.

| S-EPMC3254337 | biostudies-literature

catena-Poly[[diaqua-calcium(II)]-bis-(?-quinoline-3-carboxyl-ato)].

Project description:In the title complex, [Ca(C(10)H(6)NO(2))(2)(H(2)O)(2)](n), the Ca(II) ion is eight-coordinated by six carboxyl-ate O atoms from four separate quinoline-3-carboxyl-ate ligands, two of which are bidentate chelate and two bridging, and two water mol-ecules in a distorted square-anti-prismatic geometry. The bridging groups form a polymeric chain substructure extending along the c axis, the chains being connected by coordinated-water O-H?N and O-H?O(carboxyl-ate) hydrogen bonds into a three-dimensional framework structure.

| S-EPMC3009206 | biostudies-literature

catena-Poly[[diaqua-dibromidoman-ganese(III)]-?-pyridine-2-carboxyl-ato].

Project description:The asymmetric unit of the title compound, [MnBr(2)(C(6)H(4)NO(2))(H(2)O)(2)](n), contains one monomeric unit of the neutral linear coordination polymer. The Mn(3+) ions are bridged by anionic pyridine-2-carboxyl-ate (pic) ligands, thereby forming a chain-like structure along the c axis, and are six-coordinated in a distorted octa-hedral environment by two O atoms of the two different carboxyl-ate groups, two O atoms of two water mol-ecules and two Br atoms. The complex displays inter-molecular O-H?Br, O-H?N, O-H?O, C-H?O and C-H?Br hydrogen bonding. There may also be inter-molecular ?-? inter-actions between adjacent pyridine rings, with a centroid-centroid distance of 3.993?(8)?Å.

| S-EPMC2977438 | biostudies-literature

1H-Benzimidazol-3-ium-2-carboxyl-ate dihydrate.

Project description:The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant -CO(2) group is 0.62?(2)°. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?O and O-H?O hydrogen bonds.

| S-EPMC3120509 | 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