Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(5-amino-1H-tetra-zole-κN (4))di-aqua-(oxalato-κ(2) O (1),O (2))cadmium.

ABSTRACT: In the monomeric title complex, [Cd(C2O4)(CH3N5)2(H2O)2], the Cd(II) ion exhibits a distorted octa-hedral coordination geometry, with the equatorial plane defined by two O atoms from an oxalate ligand and two N atoms from two 5-amino-1H-tetra-zole ligands; the axial sites are occupied by two water mol-ecules, with longer Cd-O bond lengths. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O as well as O-H⋯O and O-H⋯N hydrogen bonds (some of which are bifurcated) link the complex mol-ecules into a three-dimensional network.

SUBMITTER: Liang Q

PROVIDER: S-EPMC3884986 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Hexa-aqua-nickel(II) bis-[tri-aqua-?3-oxalato-di-?-oxalato-bariumchromate(III)] tetra-hydrate.

Project description:The title compound, [Ni(H2O)6][BaCr(C2O4)3(H2O)3]2·4H2O, was obtained in the form of single crystals from the slow evaporation of an aqueous mixture of {Ba6(H2O)17[Cr(C2O4)3]4}·7H2O and NiSO4·6H2O in the molar ratio 1:4. Its structure is made up of corrugated anionic (101) layers of formula [BaCr(C2O4)3(H2O)3] n n - that leave voids accommodating the charge-compensating cations, [Ni(H2O)6]2+ (point group symmetry ), as well as the water mol-ecules of crystallization. The anionic layers are built from the connection of barium and chromium atoms through bridging oxalate ligands. The CrIII atom is hexa-coordinated by O atoms of three oxalate ligands while the BaII atom is tenfold coordinated by three O atoms of water mol-ecules and seven O atoms of four oxalate ligands. Each NiII atom sits on an inversion center and is coordinated by six water mol-ecules. One of the uncoordinated water mol-ecules is disordered over two sites, with a refined occupancy ratio of 0.51?(5):0.49?(5). In the crystal, extensive O-H?O hydrogen-bonding inter-actions link the anionic layers, the charge-balancing cations as well as the water mol-ecules of crystallization into a three-dimensional supra-molecular network.

| S-EPMC7405579 | biostudies-literature

Tetra-aqua-bis(3,5-di-4-pyridyl-1H-1,2,4-triazolido)cadmium(II) dihydrate.

Project description:In the title compound, [Cd(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, the Cd(II) atom is located on an inversion center and is coordinated by the two N atoms [Cd-N = 2.278?(2)?Å] and four O atoms [Cd-O = 2.304?(2)-2.322?(2)?Å] in a distorted octa-hedral geometry. Inter-molecular O-H?O and O-H?N hydrogen bonds link the complex into a three-dimensional supra-molecular framework.

| S-EPMC2977399 | biostudies-literature

Aqua-bis(3,5-dimethyl-1H-pyrazole-κN)(oxalato-κO,O')copper(II).

Project description:In the title compound, [Cu(C(2)O(4))(C(5)H(8)N(2))(2)(H(2)O)], the Cu(II) atom is coordinated in a slightly distorted square-pyramidal geometry by two N atoms belonging to the two 3,5-dimethyl-1H-pyrazole ligands, two O atoms of the oxalate anion providing an O,O'-chelating coordination mode, and an O atom of the water mol-ecule occupying the apical position. The crystal packing shows a well defined layer structure. Intra-layer connections are realised through a system of hydrogen bonds while the nature of the inter-layer inter-actions is completely hydro-phobic, including no hydrogen-bonding inter-actions.

| S-EPMC2914925 | biostudies-literature

5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

Project description:The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H?O and O-H?N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.

| S-EPMC3011479 | biostudies-literature

catena-Poly[[bis-[1-(2-hydroxy-ethyl)-1H-tetra-zole-κN]copper(II)]-di-μ-chlorido]: a powder study.

Project description:The crystal structure of the title polymeric complex, [CuCl(2)(C(3)H(6)N(4)O)(2)](n), was obtained by the Rietveld refinement from laboratory X-ray powder diffraction data collected at room temperature. The unique Cu(II) ion lies on an inversion center and is in a slightly distorted octa-hedral coordination environment. In the hydroxy-ethyl group, all H atoms, the O atom and its attached C atom are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. The OH group is involved in an intra-molecular O-H⋯N hydrogen bond.

| S-EPMC2961963 | biostudies-literature

Tetra-aqua-(2,2'-bipyridine-κN,N')manganese(II) di-μ-aqua-bis-[aqua-(2,2'-bipyridine-κN,N')(5-sulfonatoisophthalato-κO)manganate(II)] tetra-hydrate.

Project description:The crystal structure of the title salt, [Mn(C(10)H(8)N(2))(H(2)O)(4)][Mn(2)(C(8)H(3)O(7)S)(2)(C(10)H(8)N(2))(2)(H(2)O)(4)]·4H(2)O, consists of mononuclear manganese(II) cations, dinuclear manganate(II) dianions and uncoordinated water mol-ecules. The dianion is located about an inversion center; the Mn(II) atom is coordinated by a 2,2'-bipyridine ligand, a sulfonatoisophthalate group, a water mol-ecule along with two bridging water mol-ecules in an octa-hedral geometry. The cation lies on a twofold rotation axis; the Mn(II) atom is coordinated by four water mol-ecules and a chelating 2,2'-bipyridine ligand in a distorted octa-hedral geometry. A partially overlapped arrangement between the bipyridine ligands and the aromatic ring of the sulfoisophthalate group of adjacent anions is observed; the distance (3.357 Å) indicates π-π stacking. Hydrogen bonds, with the water mol-ecules serving as hydrogen-bond donors, lead to a three-dimensional network architecture.

| S-EPMC2961927 | biostudies-literature

Di-μ-nicotinato-κN:O;κO:N-bis-[aqua-(ethyl-enediamine-κN,N')(nicotinato-κN)cadmium(II)] dihydrate.

Project description:The dinuclear mol-ecule of the title compound, [Cd(2)(C(6)H(4)NO(2))(4)(C(2)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, lies on an inversion centre and forms 12-membered (CdNC(3)O)(2) metallacycles with the two Cd(2+) ions bridged by two nicotinate ligands. Both Cd(2+) ions display coordination polyhedra with a distorted octa-hedral geometry that includes two pyridine N atoms from bridging and terminal nicotinate anions, two amine N atoms from chelating ethylene-diamine ligands, carboxylate O atoms from bridging nicotinate anions and water O atoms. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds result in the formation of a three-dimensional network, and π-π stacking inter-actions are observed between symmetry-related pyridine rings of bridging as well as terminal nicotinate anions (the centroid-centroid distances are 3.59 and 3.69 Å, respectively, and the distances between parallel planes of the stacked pyridine rings are 3.53 and 3.43 Å, respectively). The two methylene groups of the ethylene-diamine ligand are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2.

| S-EPMC2961096 | biostudies-literature

?-Pyrazine-bis-[tetra-aqua-cadmium(II)] ?-pyrazine-bis-[tetra-acetato-cadmium(II)].

Project description:In the title dinuclear ionic complex, [Cd(2)(C(4)H(4)N(2))(H(2)O)(8)][Cd(2)(CH(3)CO(2))(8)(C(4)H(4)N(2))], the cation and anion are disordered equally over a site with symmetry mmm. The Cd(II) ions and the N atoms of the bridging pyrazine ligand lie on the inter-section of two crystallographic mirror planes. The C atoms of the bridging pyrazine ligand lie on one of these mirror planes, and the acetate groups and water mol-ecules lie across the inter-secting mirror planes. Each Cd(II) atom in the cation is five-coordinated by four O atoms from four water mol-ecules and one N atom from the bridging pyrazine ligand, whereas each Cd(II) in the anion is nine-coordinated by four pairs of O atoms from the bidentate acetate ligands and one N atom from the bridging pyrazine ligand. In the crystal structure, each anion is surrounded by eight nearest-neighbour cations and vice versa. The crystal structure is stabilized by ionic inter-actions as well as by C-H?O inter-actions.

| S-EPMC2961302 | biostudies-literature

Poly[[tetra-aqua-di-?(4)-oxalato-?(2)-oxalato-dineo-dymium(III)] dihydrate].

Project description:The title compound, {[Nd(2)(C(2)O(4))(3)(H(2)O)(4)]·2H(2)O}(n), was synthesized hydro-thermally in the presence of bis-(carb-oxy-ethyl-germanium) sesquioxide. It is isostructural with the corresponding Pr compound [Yang et al. (2009). Acta Cryst. E65, m1152-m1153]. The Nd(3+) cation is nine-coordinated and its coordination polyhedron can be described as a distorted tricapped trigonal prism. Two Nd(3+) ions are connected by two O atoms from two oxalate ions to give a dinuclear Nd(2) unit. The unit is further linked to four others via four oxalate ions yielding a layerparallel to (0-11). The linkages between the layers by neighbouring oxalate anions lead to a three-dimensional framework with channels along the c axis. The coordinating and free water mol-ecules are located in the channels and make contact with each other and the host framework by weak O-H?O hydrogen bonds.

| S-EPMC3297245 | biostudies-literature

A new polymorph of 5,5'-(ethane-1,2-di-yl)bis-(1H-tetra-zole).

Project description:The asymmetric unit of the title compound, C(4)H(6)N(8), contains a quarter of the mol-ecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions between the tetra-zole rings of adjacent mol-ecules [centroid-centroid distance = 3.4402 (10) Å].

| S-EPMC3343959 | biostudies-literature

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