Browse
Submit Data
Databases
API
Help
Login

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[(trans-diaqua-cadmium)-bis-{?-5-[4-(1H-imidazol-1-yl)phen-yl]tetra-zol-1-ido}].

ABSTRACT: In the title compound, [Cd(C(10)H(7)N(6))(2)(H(2)O)(2)], the Cd(II) atom lies on an inversion centre and is coordinated by four N atoms from 5-[4-(1H-imidazol-1-yl)phen-yl]tetra-zol-1-ide ligands and two O atoms from the coordinated water mol-ecules in an octa-hedral arrangement. The complex polymeric chains are inter-connected via inter-molecular water O-H?N hydrogen bonds into a three-dimensional network.

PROVIDER: S-EPMC3344330 | BioStudies |

REPOSITORIES: biostudies

ACCESS DATA

Json Xml

Similar Datasets

Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)].

Project description:The title compound, [Cd(2)(C(8)H(4)N(4)O(2))(2)(H(2)O)(2)](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated cadmium cations exist in the structure. One is located on a twofold axis and is coordinated by four O and two N atoms from four symmetry-related ligands, forming a trigonal-prismatic coordination polyhedron. The other is located on an inversion center and is octa-hedrally coordinated by two N and two O atoms from two ligands in equatorial sites, and two water mol-ecules in axial sites. The organic ligand bridges three Cd atoms, through a carboxyl-ate group and two N atoms of the tetra-zolate unit. This mode of coordination results in a two-dimensional framework. The crystal structure is stabilized by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds.

| S-EPMC2961931 | BioStudies

Poly[bis-[?(3)-2-(1H-tetra-zol-1-yl)acetato]cadmium(II)].

Project description:In the title compound, [Cd(C(3)H(3)N(4)O(2))(2)](n), the Cd(II) ion, located on a twofold rotation axis, is six-coordinated by two N atoms [Cd-N = 2.368?(2)?Å] and four O atoms [Cd-O = 2.300?(1) and 2.260?(1)?Å] from six 2-(1H-tetra-zol-1-yl)acetate (L) ligands in a distorted octa-hedral geometry. The metal centres are connected via the tridentate L ligands into a three-dimensional polymeric structure.

| S-EPMC2971286 | BioStudies

Poly[[bis-[3-(1H-tetra-zol-1-yl)propanoic acid-?N(4)]cadmium]-di-?-thio-cyanato-?(2)N:S;?(2)S:N].

Project description:In the title compound, [Cd(NCS)(2)(C(4)H(6)N(4)O(2))(2)](n), the Cd(II) cation is located on an inversion center and is coordinated by two N and two S atoms from four SCN(-) anions and two N atoms from two 3-(1H-tetra-zol-1-yl)propanoic acid (Htzp) ligands in a distorted octa-hedral geometry. The SCN(-) anions bridge the Cd(II) cations into a layer structure parallel to (100). A weak intra-molecular C-H?N inter-action occurs. The layers are further assembled into a three-dimensional supra-molecular structure via classical O-H?O hydrogen bonds.

2012-01-01 | S-EPMC3344336 | BioStudies

catena-Poly[[tetra-aqua-cadmium]-?-5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ido)-?(2) N (2):N (2')].

Project description:In the title compound, [Cd(C8H4N8)(H2O)4] n , 5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ide) (L) ligands bridge Cd(II) atoms into polymeric chains along [201]. The Cd(II) atom is situated on an inversion centre and is coordinated by two N atoms from two L ligands and by four water O atoms in a distorted octa-hedral geometry. In the L ligand, the benzene ring resides on an inversion centre and the tetra-zole rings are twisted from its plane by 22.3?(1)°. An extensive hydrogen-bonding network formed by classical O-H?N and O-H?O inter-actions consolidates the crystal packing, linking the poymeric chains into a three-dimensional structure.

2013-01-01 | S-EPMC3647818 | BioStudies

Bis(?-2-{[2-(1,3-benzothia-zol-2-yl)hydrazinyl-idene]meth-yl}-6-meth-oxy-phenolato)bis-[dinitratodysprosium(III)] methanol disolvate.

Project description:In the centrosymmetric dinuclear title compound, [Dy(2)(C(15)H(12)N(3)O(2)S)(2)(NO(3))(4)]·2CH(3)OH, the two Dy(III) atoms are coordinated by two deprotonated 2-{[2-(1,3-benzothia-zol-2-yl)hydrazinyl-idene]meth-yl}-6-meth-oxy-phenol ligands and four nitrate ions, all of which are chelating. The crystal packing is stabilized by inter-molecular N-H?O hydrogen bonds and weak O-H?O inter-actions, forming a two-dimensional network parallel to (010).

| S-EPMC3120308 | BioStudies

Poly[[bis-{?(3)-tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine}copper(II)] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C(9)H(15)N(13))(2)](ClO(4))(2)}(n), the Cu(2+) cation lies on an inversion center and is coordinated by the tetra-zole N(4) atoms of six symmetry-equivalent tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine ligands (t(3)z) in the form of a Jahn-Teller-distorted octa-hedron with Cu-N bond distances of 2.0210?(8), 2.0259?(8) and 2.4098?(8)?Å. The tertiary amine N atom is stereochemically inactive. The cationic part of the structure, viz. [Cu(t(3)z)(2)](2+), forms an infinite two-dimensional network parallel to (100), in pockets of which the perchlorate anions reside. The individual networks are partially inter-locked and held together by C-H?O inter-actions to the perchlorate anions and C-H?N inter-actions to tetra-zole N atoms.

2010-01-01 | S-EPMC2983878 | BioStudies

Bis{μ-1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole}bis-(iodido-cadmium).

Project description:The dinuclear title complex, [Cd(2)I(4)(C(12)H(13)N(5))(2)], lies on a crystallographic center of inversion. The Cd(II) atom is four-coordinated by two N atoms from two 1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole (bmei) ligands and two terminal I atoms in a distorted tetra-hedral coordination environment. The Cd(II) atoms are connected to each other by two bridging bmei ligands. The benzotriazole rings in adjacent mol-ecules are almost parallel, with an average inter-planar distance of 3.3400 (2) Å and a centroid-centroid distance of 4.852 (2) Å.

| S-EPMC3152091 | BioStudies

Diaqua-dimethano-lbis[4-(1H-tetra-zol-1-yl)benzoato]zinc(II) dihydrate.

Project description:In the title compound, [Zn(C(8)H(5)N(4)O(2))(2)(CH(3)OH)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) ion lies on an inversion centre and is coordinated by two O atoms from two 4-(tetra-zol-1-yl)benzoate ligands, two O atoms from two methanol mol-ecules and two O atoms from two water mol-ecules in a slightly distorted octa-hedral geometry. In addition, there are two uncoordinated water mol-ecules in the crystal structure. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds.

| S-EPMC2961137 | BioStudies

Dichlorido(ethanol-?O)[2-(1,3-thia-zol-4-yl-?N)-1H-benzimidazole-?N(3)]copper(II).

Project description:In the title complex, [CuCl(2)(C(10)H(7)N(3)S)(C(2)H(5)OH)], the Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a 2-(1,3-thia-zol-4-yl)-1H-benzimidazole ligand, one O atom from an ethanol mol-ecule and two Cl atoms. In the crystal, O-H?Cl and N-H?Cl hydrogen bonds link the complex mol-ecules into a layer parallel to (100). ?-? inter-actions between the thia-zole rings are observed [centroid-centroid distance = 3.749?(3)?Å].

2012-01-01 | S-EPMC3343892 | BioStudies

Hexaaqua-magnesium(II) bis-{[2-(1-phenyl-1H-tetra-zol-5-yl)sulfan-yl]acetate}.

Project description:The asymmetric unit of the title compound, [Mg(H(2)O)(6)](C(9)H(7)N(4)O(2)S)(2), contains one-half of a [Mg(H(2)O)(6)](2+) cation ( symmetry) and one uncoordinated 2-[(1-phenyl-1H-tetra-zol-5-yl)sulfan-yl]acetate anion. The Mg(II) cation is coordinated by six water mol-ecules, exhibiting a slightly distorted octa-hedral coordination. A two-dimensional network parallel to (001) is formed via extensive hydrogen-bonding inter-actions involving the water mol-ecules as donors and the tetra-zole N and carboxyl-ate O atoms of the anion as acceptors. The shortest distance between two adjacent parallel benzene rings is 3.315?(2)?Å. The dihedral angle between the benzene ring and the tetra-zole ring is 40.98?(2)°.

| S-EPMC2979576 | BioStudies

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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