Browse
Submit Data
Databases
API
Help
Login

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[?-3-ethyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole]bis-[dichloridocopper(II)].

ABSTRACT: The asymmetric unit of the title compound, [Cu(2)Cl(4)(C(15)H(14)N(4))(2)], contains two halves of two centrosymmetric dinuclear mol-ecules, A and B. The conformations of the two crystallographically independent mol-ecules are slightly different: in A, the Cu?Cu separation is 4.174?(9)?Å and the dihedral angle between the triazole and phenyl rings is 74.23?(11)°; these values are 4.137?(9)?Å and 68.58?(13)°, respectively, in B. In each mol-ecule, the copper(II) ions have a distorted trigonal-bipyramidal coordination geometry with a CuCl(2)NN'N'' chromophore. The crystal packing exhibits weak inter-molecular C-H?Cl inter-actions.

SUBMITTER: Wang Z

PROVIDER: S-EPMC2967870 | BioStudies | 2008-01-01T00:00:00Z

REPOSITORIES: biostudies

ACCESS DATA

Json Xml

Similar Datasets

[1,2-Bis(pyridin-2-ylmeth-oxy)benzene-?N,O,O',N']dichloridocopper(II).

Project description:In the title compound, [CuCl(2)(C(18)H(16)N(2)O(2))], the Cu(II) atom lies on a twofold axis and is six-coordinated in a distorted octa-hedral environment defined by two N and two O atoms from the ligand and by two Cl atoms. In the crystal, ?-? inter-actions [centroid-centroid distance = 3.838?(1)?Å] and C-H?Cl hydrogen bonds link adjacent mol-ecules into a chain structure along [101].

2011-01-01 | S-EPMC3089321 | BioStudies

{4,6-Bis[(E)-1-methyl-2-(pyridin-2-yl-methyl-idene-?N)hydrazinyl-?N]pyrimidine-?N}dichloridocopper(II) methanol disolvate monohydrate.

Project description:The title compound, [CuCl(2)(C(18)H(18)N(8))]·2CH(3)OH·H(2)O, contains a penta-coordinated Cu(II) atom bonded to the tridentate 4,6-bis-[(E)-1-methyl-2-(pyridin-2-yl-methyl-idene)hydrazin-yl]pyrimidine ligand and two Cl atoms. The geometry around the Cu(II) atom is distorted square-pyramidal. The mol-ecules pack in the crystal structure via O-H?Cl, O-H?N, C-H?Cl and C-H?O hydrogen bonds, C-H?? and ?-? inter-actions [centroid-centroid distances of the pyrimidine-pyridine and pyridine-pyridine inter-actions are 3.750?(3) and 3.850?(3)?Å, respectively], forming sheet-like assemblies.

2011-01-01 | S-EPMC3212151 | BioStudies

Chloridobis(1,10-phenanthroline-?N,N')copper(I) dichloridocopper(II).

Project description:The asymmetric unit of the title compound, [CuCl(C(12)H(8)N(2))(2)]·[CuCl(2)], contains two complex Cu(II) cations and two cuprate(I) anions. The Cu(II) atom is coordinated by two phenanthroline (phen) mol-ecules and one chloride anion in a distorted trigonal-bipyramidal geometry. The Cu(II) complex cations form layers through ?-? stacking [interplanar distance = 3.481?(2)?Å]. The dichloridocuprate(I) anions are located between the layers, forming a sandwich-like structure.

1000-01-01 | S-EPMC3051778 | BioStudies

Bis[N-benzyl-2-(quinolin-8-yl-oxy)acetamide]dichloridocopper(II) acetonitrile solvate monohydrate.

Project description:In the title complex, [CuCl(2)(C(18)H(16)N(2)O(2))(2)]·CH(3)CN·H(2)O, the six-coordinated Cu atom is in a distorted octa-hedral geometry with the donor centers of two O atoms and two N atom from two bidentate ligands, and two chloride ions. In the crystal, pairs of inter-molecular N-H? Cl hydrogen bonds form centrosymmetric dimers and inter-molecular O-H? O hydrogen bonds between the ligand and the uncoordinated water mol-ecules link the dimers into chains parallel to the c axis.

1000-01-01 | S-EPMC2983527 | BioStudies

Chloridotris(3,5-dimethyl-1H-pyrazole-?N)(formato-?O)copper(II)-dichlorido-bis(3,5-dimethyl-1H-pyrazole-?N)copper(II) (2/1).

Project description:The asymmetric unit of the title compound, [Cu(CHO(2))Cl(C(5)H(8)N(2))(3)](2)·[CuCl(2)(C(5)H(8)N(2))(2)] or 2[A]·[B], contains one A mol-ecule and one half-molecule of B, located on a centre of inversion. The Cu(II) environments in A and B are different. In A, the Cu(II) atom is coordinated by three N atoms from three 3,5-dimethyl-1H-pyrazole (L) ligands, one O atom from a formate ligand and a chloride anion in an axial position [Cu-Cl = 2.4275?(7)?Å] in a distorted tetra-gonal-pyramidal geometry. The Cu(II) atom in B is coordinated by two N atoms from two L ligands and two chloride anions [Cu-Cl = 2.2524?(6)?Å] in a distorted square-planar geometry. In the crystal, inter-molecular N-H?O hydrogen bonds link mol-ecules A into centrosymmetric dimers. Inter-molecular N-H?Cl hydrogen bonds further link these dimers with the B mol-ecules, forming chains propagating in [101].

1000-01-01 | S-EPMC3120383 | BioStudies

Bis[cis-bis-(diphenyl-phosphino)ethene]copper(I) dichloridocuprate(I).

Project description:The crystal structure of the title compound, [Cu(C(26)H(22)P(2))(2)][CuCl(2)], is composed of discrete Cu(dppey)(2)](+) cations [dppey is cis-bis-(diphenyl-phosphino)ethene] and [CuCl(2)](-) anions. The tetra-hedral Cu(P-P)(2) core of the [Cu(dppey)(2)](+) cation is distorted, with Cu-P bond lengths ranging from 2.269?(1) to 2.366?(1)?Å. The five-membered -Cu-P-CH=CH-P- rings adopt envelope conformations, with the Cu atom lying 0.38 and 0.65?Å out of the P-C=C-P planes. The Cu-Cl distances in the [CuCl(2)](-) anion are 2.094?(2) and 2.096?(2)?Å, with a Cl-Cu-Cl angle of 176.81?(7)°.

1000-01-01 | S-EPMC2979187 | BioStudies

Dichlorido(3,5,5'-trimethyl-1,3'-bi-1H-pyrazole-?N,N)copper(II).

Project description:In the title complex, [CuCl(2)(C(9)H(12)N(4))], the Cu(II) atom exhibits a distorted square-planar coordination geometry involving two chloride ions and two N-atom donors from the bipyrazole ligand. The chelate ring including the Cu(II) atom is essentially planar, with a maximum deviation of 0.0181?(17)?Å for one of the coordinated N atoms. This plane forms a dihedral angle of 30.75?(6)° with the CuCl(2) plane. In the crystal, each pair of adjacent mol-ecules is linked into a centrosymmetric dimer by N-H?Cl hydrogen bonds. The crystal structure is stabilized by inter-molecular C-H?N and C-H?Cl hydrogen bonds and weak slipped ?-? stacking inter-actions between symmetry-related mol-ecules, with an inter-planar separation of 3.439?(19)?Å and a centroid-centroid distance of 3.581?(19)?Å.

1000-01-01 | S-EPMC3051990 | BioStudies

Aqua-trichlorido(1-cyano-methyl-4-aza-1-azoniabicyclo-[2.2.2]octane-?N(4))copper(II) monohydrate.

Project description:The asymmetric unit of the title compound, [CuCl(3)(C(8)H(14)N(3))(H(2)O)]·H(2)O, comprises a neutral complex and a mol-ecule of free water. The complex contains coordinated Cu(II) ions, with Cu-Cl distances ranging from 2.3471?(8) to 2.4011?(8)?Å, and with Cu-N and Cu-O distances of 2.0775?(19) and 2.0048?(18)?Å, respectively. The resulting coordination polyhedron is a trigonal bipyramid with the Cl atoms in the equatorial plane. In the crystal, O-H?Cl and O-H?O hydrogen bonds link the mol-ecules into a three-dimensional structure.

1000-01-01 | S-EPMC3344395 | BioStudies

cis-Aqua-dichlorido[pyrimidin-2(1H)-one-?N]copper(II).

Project description:In the title compound, [CuCl(2)(C(4)H(4)N(2)O)(H(2)O)], the Cu(II) cation is coordinated by two chloride anions, one pyrimidin-2-one N atom and one water mol-ecule, giving a slightly distorted square-planar geometry. In the crystal structure, the pyrimidin-2-one rings stack along the b axis, with an inter-planar distance of 3.306?Å, as do the copper coordination planes (inter-planar spacing = 2.998?Å). The coordination around the Jahn-Teller-distorted Cu(II) ion is completed by long Cu?O [3.014?(5)?Å] and Cu?Cl [3.0194?(15)?Å] inter-actions with adjacent mol-ecules involved in this stacking. Several N-H?Cl, O-H?Cl and O-H?O inter-molecular hydrogen bonds form a polar three-dimensional network.

2008-01-01 | S-EPMC2961748 | BioStudies

[N-(1-Aza-nidyl-2,2,2-trichloro-ethyl-idene)-2,2,2-trichloro-ethanimidamide]-copper(II).

Project description:The title compound, [Cu(C(4)H(2)Cl(6)N(3))(2)], was obtained by the reaction of CCl(3)CN with ammonia in presence of CuCl. The Cu(II) atom is located about an inversion centre. The mol-ecule consists of three planar units (one central square CuN(4) and two C(2)N(3) fragments), adopting a staircase-like structure. The six-membered metallocycles have a sofa conformation with the Cu atom out of the plane of the 1,3,5-triaza-penta-dienyl ligands by 0.246?(5)?Å. The ipso-C atoms of the CCl(3) substituents are slightly out of the 1,3,5-triaza-penta-dienyl planes by 0.149?(6) and -0.106?(6)?Å. The CCl(3) groups of each 1,3,5-triaza-penta-dienyl ligand are practically in the energetic-ally favourable mutually eclipsed conformation. In the crystal, the mol-ecules are packed in stacks along the a axis. The mol-ecules in the stacks are held together by two additional axial Cu?Cl inter-actions of 3.354?(2)?Å. Taking the axial Cu?Cl inter-actions into account, the Cu(II) atom exhibits a distorted [4 + 2]-octa-hedral coordination environment. The stacks are bound to each other by weak inter-molecular attractive Cl?Cl [3.505?(2)-3.592?(3)?Å] inter-actions.

2012-01-01 | S-EPMC3435628 | 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