Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis(5-phenyl-1H-pyrazole-3-carboxyl-ato)copper(II).

ABSTRACT: In the centrosymmetric title compound, [Cu(C(10)H(7)N(2)O(2))(2)(H(2)O)(2)], the Cu(II) ion occupies an inversion centre and exhibits a distorted octa-hedral geometry. The phenyl and pyrazole rings of the ligand are twisted by an angle of 11.36?(8)°. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to the (010) plane by O-H?O and N-H?O hydrogen bonds.

SUBMITTER: Wu YH

PROVIDER: S-EPMC2960242 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis(5-phenyl-1H-pyrazole-3-carboxyl-ato)copper(II).

Wu Yuan-Hui YH Liu Tian-Mo TM Luo Su-Xing SX

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

In the centrosymmetric title compound, [Cu(C(10)H(7)N(2)O(2))(2)(H(2)O)(2)], the Cu(II) ion occupies an inversion centre and exhibits a distorted octa-hedral geometry. The phenyl and pyrazole rings of the ligand are twisted by an angle of 11.36 (8)°. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to the (010) plane by O-H⋯O and N-H⋯O hydrogen bonds. ...[more]

PMID: 21201314

Similar Datasets

Diaqua-(5-methyl-1H-pyrazole-3-carboxyl-ato)(4-nitro-benzoato)copper(II).

Project description:In the title complex, [Cu(C(7)H(4)NO(4))(C(5)H(5)N(2)O(2))(H(2)O)(2)], the Cu(II) ion is coordinated in a slightly distorted square-pyramidal enviroment. The basal plane is formed by an N atom and an O atom from a 5-methyl-1H-pyrazole-3-carboxyl-ate ligand and by two O atoms from two water ligands. The apical position is occupied by a carboxylate O atom from a 4-nitro-benzoate ligand. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link complex moleclues, forming extended chains parallel to the a axis.

| S-EPMC2968408 | biostudies-literature

Diaqua-bis(5-carb-oxy-1H-pyrazole-3-carboxyl-ato-?N,O)cobalt(II) dihydrate.

Project description:In the title complex, [Co(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)]·2H(2)O, the Co(II) ion lies on an inversion center and is coordinated in a distorted octa-hedral environment. In the crystal structure, complex and water mol-ecules are linked into a three-dimensional network by O-H?O and N-H?O hydrogen bonds.

| S-EPMC2977339 | biostudies-literature

Diaqua-bis(1H-1,2,4-triazole-3-carboxyl-ato)cadmium(II).

Project description:In the title complex, [Cd(C(3)H(2)N(3)O(2))(2)(H(2)O)(2)], the Cd(II) atom is coordinated by two N and two O atoms from two deprotonated 1H-1,2,4-triazole-3-carboxylic acid ligands (TRIA) and two water mol-ecules. The Cd atom is located on an inversion centre. In the crystal structure, mol-ecules are linked together via O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2915071 | biostudies-literature

Diaqua-bis-(2-oxo-2H-chromene-3-carboxyl-ato)copper(II).

Project description:In the title compound, [Cu(C(10)H(5)O(4))(2)(H(2)O)(2)], the Cu(II) atom lies on a crystallographic inversion center and exhibits an octa-hedral coordination defined by two O atoms from water mol-ecules in the axial positions and by four O atoms from two deprotonated coumarin-3-carb-oxy-lic acid ligands in the equatorial positions. The angles around the Cu(II) atom vary between 85.32 (6) and 94.68 (6)°. The Cu-O bond distances between the Cu(II) atom and the O atoms vary between 1.9424 (14) and 2.3229 (15) Å. The layers inter-digitate via face-to-face aromatic inter-actions [3.6490 (8) Å] between coumarin moieties such that the inter-layer separation is 10.460 (2) Å, i.e. the length of the c axis. O-H⋯O hydrogen bonds between the H atoms of coordinated water mol-ecules and the O atoms of carboxyl-ate groups link the complex mol-ecules into layers parallel to the ab plane.

| S-EPMC3120618 | biostudies-literature

Dipyridinium diaqua-bis-(pyrazole-3,5-di-carboxyl-ato-?(2) N,O)cuprate(II) dihydrate.

Project description:In the mononuclear title salt, (C5H6N)2[Cu(C5H2N2O4)2(H2O)2]·2H2O, the Cu(II) ion is located on an inversion centre and is coordinated by two chelating pyrazole-3,5-dicarboxyl-ate anions and two water mol-ecules, forming a Jahn-Teller-distorted CuN2O4 octa-hedron. O-H?O and N-H?O hydrogen bonds are formed between water mol-ecules, complex anions and the pyridine counter-cations, leading to the formation of layers parallel to (100). The layers are held together by weak C-H?O hydrogen bonds.

| S-EPMC3588750 | biostudies-literature

Diaqua-bis-(1H-imidazole-4-carboxyl-ato-?(2)N(3),O)cobalt(II).

Project description:In the title compound, [Co(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)], the Co(II) ion is located on a twofold rotation axis and shows a distorted octa-hedral coordination configuration, defined by two N,O-bidentate 1H-imidazole-4-carboxyl-ate ligands in the equatorial plane and two water mol-ecules in the axial positions. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. ?-? stacking inter-actions between the imidazole rings [centroid-centroid distances = 3.4914?(15) and 3.6167?(15)?Å] further stabilize the crystal structure.

| S-EPMC3470135 | biostudies-literature

Diaqua-bis-(1H-imidazole-4-carboxyl-ato-?(2)N(3),O)cobalt(II).

Project description:The title compound, [Co(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)], contains a Co(II) cation on a twofold rotation axis, exhibiting a distorted octa-hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-imidazole-4-carboxyl-ate ligands and the axial positions are occupied by water mol-ecules. The crystal packing consists of a three-dimensional network stabilized by O-H?O and N-H?O hydrogen bonds, together with weak ?-? inter-actions [centroid-centroid distance = 3.577?(2)?Å] between the imidazole rings.

| S-EPMC3569192 | biostudies-literature

Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

| S-EPMC2977176 | biostudies-literature

Diaqua-bis-(1H-imidazole-4-carboxyl-ato-?(2) N (3),O (4))manganese(II).

Project description:In the title compound, [Mn(C4H3N2O2)2(H2O)2], the Mn(II) ion is located on a twofold rotation axis and displays a distorted octa-hedral coordination environment, defined by two N,O-bidentate 1H-imidazole-4-carboxyl-ate ligands in the equatorial plane and two water mol-ecules in axial positions. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. ?-? stacking inter-actions between the imidazole rings [centroid-centroid distances = 3.5188?(15) and 3.6687?(15)?Å] further stabilize the structure.

| S-EPMC3588475 | biostudies-literature

Diaqua-bis-(5-carb-oxy-1H-imidazole-4-carboxyl-ato-?N,O)iron(II).

Project description:In the title compound, [Fe(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)], the Fe(II) ion lies on an inversion centre and is coordinated by two N and two O atoms from two 5-carb-oxy-1H-imidazole-4-carboxyl-ate ligands and two water mol-ecules in a distorted octa-hedral geometry. An intra-molecular O-H?O hydrogen bond occurs. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds form a three-dimensional network, which consolidates the packing.

| S-EPMC3151786 | 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