Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-μ-chlorido-bis-[dichlorido(3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium-κN)copper(II)] dihydrate.

ABSTRACT: The structure of the centrosymmetric title compound, [Cu(2)Cl(6)(C(10)H(15)N(4))(2)]·2H(2)O, consists of a dimeric [{(HMe(4)bpz)CuCl(3)}(2)] unit (HMe(4)bpz is 3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium) with two solvent water molecules. Each [HMe(4)bpz](+) cation is bonded to a CuCl(3) unit through a Cu-N dative bond, effectively making square-planar geometry at the Cu atom. Two of these units then undergo a face-to-face dimerization so that the Cu atoms have a Jahn-Teller distorted square-pyramidal geometry with three chlorides and an N atom in the basal plane and one chloride weakly bound in the apical position. Several N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds form a three-dimensional network.

SUBMITTER: Kurawa MA

PROVIDER: S-EPMC2961969 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

catena-Poly[[chloridocopper(II)]bis-(μ-3,3',5,5'-tetra-methyl-4,4'-methylene-dipyrazole)[chloridocopper(II)]-di-μ-chlorido].

Project description:In the title compound, [Cu(2)Cl(4)(C(11)H(16)N(4))](n), the Cu atom is coordinated by two N atoms of two 3,3',5,5'-tetra-methyl-4,4'-methyl-enedipyrazole (H(2)mbdpz) ligands, two bridging Cl atoms and one terminal Cl atom, forming a square-pyramidal geometry. The bridging Cl atoms and the bridging H(2)mbdpz ligands connect the Cu atoms to build up an extended one-dimensional chain. The chains are further connected through N-H⋯Cl hydrogen bonds to build up a two-dimensional layer in the (011) plane. An inversion centre lies between every pair of adjacent Cu atoms.

| S-EPMC2960916 | biostudies-literature

Biphenyl-3,3',4,4'-tetra-carboxylic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(16)H(10)O(8)·2H(2)O, contains one-half of the centrosymmetric organic mol-ecule and one water mol-ecule. The dihedral angles between the carboxyl-ate groups and the adjacent phenyl ring are 71.31?(3) and 16.67?(3)°, while the carboxyl-ate groups are oriented at a dihedral angle of 72.01?(3)°. In the crystal structure, inter-molecular O-H?O and bifurcated O-H?(O,O) hydrogen bonds link the mol-ecules to form a three-dimensional supra-molecular network.

| S-EPMC2968332 | biostudies-literature

μ-4,4'-Bipyridine-κN:N'-bis-[aqua-(4,4'-bi-pyridine-κN)(l-valinato-κN,O)copper(II)] dinitrate dihydrate.

Project description:In the title dinuclear complex, [Cu(2)(C(5)H(10)NO(2))(2)(C(10)H(8)N(2))(3)(H(2)O)(2)](NO(3))(2)·2H(2)O, each of the two l-valinate anions chelates a Cu(II) center through the amino N and carboxyl-ate O atom, forming a five-membered ring. A 4,4'-bipyridine mol-ecule bridges two water-coordinated Cu atoms, each of which is connected to another 4,4'-bipyridine, giving rise to a square-pyramidal coordination geometry for the Cu(II) centers. The dinuclear dications, nitrate anions and uncoord-inated water mol-ecules are linked into a two-dimensional structure.

| S-EPMC2960237 | biostudies-literature

2,2',4,4',6,6'-Hexamethyl-biphenyl-3,3',5,5'-tetra-yltetra-methyl-ene tetra-acetate.

Project description:The title compound, C(30)H(38)O(8), possess C(i) symmetry, with the inversion center situated at the center of the bridging C-C bond. In the crystal structure, mol-ecules are held together by C-H?O inter-actions.

| S-EPMC2969695 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate.

Project description:In the crystal of the title compound, C18H14O10·2H2O, the arene rings of the biphenyl moiety are tilted at an angle of 24.3 (1)°, while the planes passing through the carboxyl groups are rotated at angles of 8.6 (1) and 7.7 (1)° out of the plane of the benzene ring to which they are attached. The crystal structure is essentially stabilized by O-H⋯O bonds. Here, the carboxyl groups of neighbouring host mol-ecules are connected by cyclic R 2 2(8) synthons, leading to the formation of a three-dimensional network. The water mol-ecules in turn form helical supra-molecular strands running in the direction of the crystallographic c-axis (chain-like water clusters). The second H atom of each water mol-ecule provides a link to a meth-oxy O atom of the host mol-ecule. A Hirshfeld surface analysis was performed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from H⋯O/O⋯H (37.0%), H⋯H (26.3%), H⋯C/C⋯H (18.5%) and C⋯O/O⋯C (9.5%) inter-actions.

| S-EPMC10993599 | biostudies-literature

Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

Project description:In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76?(5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H?O hydrogen bonds and sustained by C-H?O contacts. The linking of the anions and water mol-ecules with the cations by N-H?O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C-H?? inter-actions.

| S-EPMC2971361 | biostudies-literature

Poly[[tetra-aqua-(?(6)-2,2'-diiodo-biphenyl-4,4',5,5'-tetra-carboxyl-ato)dizinc(II)] dihydrate].

Project description:In the title compound, {[Zn(2)(C(16)H(4)I(2)O(8))(H(2)O)(4)]·2H(2)O}(n), two crystallographically independent Zn(II) atoms are each located on a twofold rotation axis. Both Zn(II) atoms are in distorted octa-hedral coordination geometries: one is coordinated by six O atoms from four carboxyl-ate groups, while the other is coordinated by two carboxyl-ate groups and four water mol-ecules. The tetra-carboxyl-ate ligand mol-ecules connect the Zn(II) atoms, completing a three-dimensional metal-organic framework. O-H?O hydrogen bonds link the metal-organic framework with the uncoord-inated water mol-ecules.

| S-EPMC2960511 | biostudies-literature

Dibenzyl 3,3',4,4'-tetra-methyl-5,5'-(ethynedi-yl)bis-(pyrrole-2-carboxyl-ate).

Project description:The title mol-ecule, C(30)H(28)N(2)O(4), has crystallographic twofold rotation symmetry, with the pyrrole planes forming a dihedral angle of 40.49?(4)°. The pyrrole N-H donor and adjacent ester carbonyl acceptor form R(2) (2)(10) hydrogen-bonded rings about inversion centers, leading to chains of hydrogen-bonded mol-ecules along [001].

| S-EPMC2915032 | biostudies-literature

2,2'-Diamino-5,5'-dimethyl-4,4'-bi-1,3-thia-zolium tetra-chlorido-zincate(II).

Project description:In the dianion of the title compound, (C(8)H(12)N(4)S(2))[ZnCl(4)], the Zn(II) ion is in a slightly distorted tetra-hedral environment. In the cation, the mean planes of the thia-zole rings form a dihedral angle of 67.81?(6)?Å. In the crystal structure, anions and cations are linked into a three-dimensional network via inter-molecular N-H?Cl hydrogen bonds.

| S-EPMC2971375 | biostudies-literature

Bis(isoquinolin-2-ium) tetra-chlorido-zincate dihydrate.

Project description:In the title compound, (C9H8N)2[ZnCl4]·2H2O, the tetra-chlorido-zincate ion is located on a twofold rotation axis with the Zn atom on a special position. The crystal packing is stabilized by N-H?O and O-H?Cl inter-actions.

| S-EPMC4158490 | 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