Browse
Submit Data
Databases
API
Help

Dataset Information

35 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bromidotetra-kis-(1H-2-ethyl-5-methyl-imidazole-?N)copper(II) bromide.

ABSTRACT: The Cu(II) ion in the title compound, [CuBr(C(6)H(10)N(2))(4)]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the Cu(II) and Br(-) atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C(6)H(10)N(2))(4)](+) complex cations are linked to the uncoordinated Br(-) anions (site symmetry [Formula: see text]) by N-H?Br hydrogen bonds, generating a three-dimensional network. The ethyl group of the imidazole ligand was modelled as disordered over two orientations with occupancies of 0.620?(8) and 0.380?(8).

SUBMITTER: Godlewska S

PROVIDER: S-EPMC3238785 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bromidotetra-kis-(1H-2-ethyl-5-methyl-imidazole-κN)copper(II) bromide.

Godlewska Sylwia S Baranowska Katarzyna K Socha Joanna J Dołęga Anna A

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

The Cu(II) ion in the title compound, [CuBr(C(6)H(10)N(2))(4)]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the Cu(II) and Br(-) atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C(6)H(10)N(2))(4)](+) complex cations are linked to the uncoordinated Br(-) anions (site symmetry [Formula: see text]) by N-H⋯Br hydrogen bonds, generating a three-dimensional network. The ethyl group o ...[more]

PMID: 22199662

Similar Datasets

Bromidotetra-kis-(2-ethyl-1H-imidazole-?N (3))copper(II) bromide.

Project description:The Cu(II) ion in the title mol-ecular salt, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by N-H?Br hydrogen bonds involving both the coordinating and the free bromide species as acceptors. A C-H?Br inter-action is also observed. Overall, a three-dimensional network results.

| S-EPMC3588773 | biostudies-literature

Bromidotetra-kis-(2-isopropyl-1H-imidazole-?N)copper(II) bromide.

Project description:The Cu(II) atom in the title salt, [CuBr(C(6)H(10)N(2))(4)]Br, is coordinated in a square-pyramidal geometry by four imidazole N atoms and one bromide anion that is located at the apex of the pyramid. The cations and the anions form a two-dimensional network parallel to (001) through N-H?Br hydrogen bonds.

| S-EPMC3201253 | biostudies-literature

Hexa-kis-(1H-imidazole-κN)iron(II) sulfate-1H-imidazole (1/2).

Project description:The asymmetric unit of the title compound, [Fe(C(3)H(4)N(2))(6)]SO(4)·2C(3)H(4)N(2), contains two complex cations, two sulfate anions and four imidazole mol-ecules. In both cations, the Fe(II) atom is coordinated by six monodentate imidazole ligands and exhibits a slightly distorted octa-hedral coordination geometry. The Fe-N distances [2.184 (4)-2.218 (4) Å] point to a high-spin state of the Fe(2+) ions. N-H⋯O hydrogen bonds between the ionic components generate a three-dimensional framework containing corrugated channels along [001], which are filled by N-H⋯N hydrogen-bonded imidazole chains.

| S-EPMC3247524 | biostudies-literature

Dibromidotetra-kis(1H-indazole-κN)copper(II).

Project description:The Cu atom in the title compound, [CuBr(2)(C(7)H(6)N(2))(4)], is surrounded by four N-heterocycles that define an N(4) square-planar geometry. The coordination geometry is distorted towards an elongated octa-hedron owing to the presence of the two Br(-) anions, which are located at about 3 Å above and below the square plane. There are two independent molecules in the asymmetric unit, each with their Cu atom lying on an inversion centre.

| S-EPMC2915062 | biostudies-literature

trans-Tetra-kis(1-allyl-1H-imidazole-κN)bis-(thio-cyanato-κN)nickel(II).

Project description:The structure of the title compound, [Ni(NCS)(2)(C(6)H(8)N(2))(4)], consists of isolated mol-ecules of [Ni(NCS)(2)(Aim)(4)] (Aim = 1-allyl-imidazole), which contain a distorted octa-hedral NiN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-allyl-imidazole ligands define the equatorial plane. The mean Mn-N(Aim) and Mn-N(NCS) distances are 2.105 (2) and 2.098 (2) Å, respectively. Weak C-H⋯N inter-actions contribute to the crystal packing stability.

| S-EPMC3274912 | biostudies-literature

Bis[4,5-dimethyl-2-(2-pyrid-yl)-1H-imidazole-κN,N](1H-imidazole-κN)copper(II) bis-(perchlorate).

Project description:In the title complex, [Cu(C(3)H(4)N(2))(C(10)H(11)N(3))(2)](ClO(4))(2), the Cu(II) cation has a distorted trigonal-bipyramidal geometry defined by a CuN(2)N'(2)N'' donor set. The imidazole ligand is disordered over two orientations of equal occupancy. Two of the perchlorate ion sites are located on a twofold rotation axis, and one of is disordered over two sites of equal occupancy. In the crystal structure there is a two-dimensional infinite network of hydrogen-bonded mol-ecules parallel to the ab plane.

| S-EPMC2961873 | biostudies-literature

Di-μ-nitrito-κO:O-bis-[bis-(1-ethyl-1H-imidazole-κN)(nitrito-κO)copper(II)].

Project description:In the structure of the title compound, [Cu(2)(NO(2))(4)(C(5)H(8)N(2))(4)], the asymmetric unit consists of two moieties containing one Cu ion, two nitrite ions and two 1-ethyl-1H-imidazole mol-ecules associated via weak Cu-O inter-actions. Each Cu(II) atom displays an elongted square-pyramidal CuN(2)O(3) coordination geometry with a slight tetra-hedral distortion in the basal plane. The dimeric units are linked into a three-dimensional network by C-H⋯O hydrogen bonds.

| S-EPMC3151931 | biostudies-literature

catena-Poly[[bis-(1-ethyl-1H-imidazole-κN)copper(II)]-μ-oxalato-κO,O:O,O].

Project description:The title compound, [Cu(C(2)O(4))(C(5)H(8)N(2))(2)](n), is composed of one-dimensional linear chains running parallel to the a axis. In the chain, trans-[Cu(imidazole)(2)](2+) units are sequentially bridged by bis-bidentate oxalate ligands, resulting in an octa-hedral CuO(4)N(2) donor set. The Cu⋯Cu separation through the oxalate bridge is 5.620 (5) Å. Both the Cu atoms and the C-C bond of the oxalate bridge are bis-ected by inversion centres.

| S-EPMC3246998 | biostudies-literature

Chlorido-(2,2'-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis-(methyl-ene)}bis-(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate.

Project description:In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl penta-coordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methyl-imidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Inter-molecular inter-actions take place at two of the 1-methyl--imidazole rings in the form of parallel-displaced π-π stacking inter-actions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

| S-EPMC6505613 | biostudies-literature

Di-chlorido-bis-[1-(2,4,6-tri-methyl-phen-yl)-1H-imidazole-κN (3)]copper(II).

Project description:In the title complex, [CuCl2(C12H14N2)2], the Cu(2+) cation is situated on an inversion centre and is coordinated by two N atoms from symmetry-related 1-mesityl-1H-imidazole ligands and by two chloride anions in a slightly distorted square-planar geometry. In the organic ligand, the dihedral angle between the benzene ring of the mesityl moiety and the imidazole ring is 76.99 (18)°. Weak intra-molecular C-H⋯Cl hydrogen-bonding inter-actions consolidate the mol-ecular conformation.

| S-EPMC3884270 | 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