Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(nitrato-?O)tetra-kis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one]copper(II).

ABSTRACT: In the title complex, [Cu(NO(3))(2)(C(11)H(11)N(3)O)(4)], the Cu(II) atom is situated on a centre of inversion and is coordinated by two O atoms from two nitrate anions and four N atoms from four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa-hedral geometry. Weak inter-molecular C-H?O and C-H?N hydrogen bonds result in a supra-molecular layer parallel to (101). These layers are connected by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.891?(2)?Å].

SUBMITTER: Cai H

PROVIDER: S-EPMC3201555 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(nitrato-κO)tetra-kis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one]copper(II).

Cai Hua H Guo Ying Y Li Jian-Gang JG Wu Yao Y

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title complex, [Cu(NO(3))(2)(C(11)H(11)N(3)O)(4)], the Cu(II) atom is situated on a centre of inversion and is coordinated by two O atoms from two nitrate anions and four N atoms from four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa-hedral geometry. Weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds result in a supra-molecular layer parallel to (101). These layers are connected by π-π inter-actions between the benzene rings [centroid-centroid di ...[more]

PMID: 22064784

Similar Datasets

Tetra-kis[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-?N]bis-(thio-cyanato-?N)nickel(II).

Project description:In the centrosymmetric mononuclear title complex, [Ni(NCS)(2)(C(11)H(11)N(3)O)(4)], the Ni(II) atom, located on an inversion centre, is hexa-coordinated in a distorted octa-hedral geometry comprising four N atoms of four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands and two N atoms from thio-cyanate anions.

| S-EPMC3011655 | biostudies-literature

Tetra-kis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-?N)propan-1-one]bis-(thio-cyanato-?N)manganese(II).

Project description:In the mononuclear title complex, [Mn(NCS)(2)(C(11)H(11)N(3)O)(4)], the Mn(II) atom, lying on an inversion center, is coordinated by two monodentate thio-cyanate anions and four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa-hedral geometry. Each complex mol-ecule is linked to four neighboring ones by weak C-H?N and C-H?S hydrogen bonds, forming a two-dimensional sheet parallel to (001).

| S-EPMC3011681 | biostudies-literature

Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-?N(4))propan-1-one]bis-(thio-cyanato-?N)copper(II).

Project description:The title compound, [Cu(NCS)(2)(C(11)H(11)N(3)O)(2)], contains two independent Cu(II) atoms. Each Cu(II) atom, lying on an inversion center, is coordinated by two N atoms from two NCS(-) anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol-ecules occupy the axial positions with long Cu?S distances [3.0495?(10) and 3.1045?(9)?Å] and complete the overall distorted octahedral coordination sphere. Weak inter-molecular C-H?O hydrogen bonds are present.

| S-EPMC3414160 | biostudies-literature

trans-Bis(nitrato-?O)tetra-kis-(1-vinyl-1H-imidazole-?N(3))copper(II).

Project description:In the title compound, [Cu(NO(3))(2)(C(5)H(6)N(2))(4)], the Cu(II) ion is located on an inversion centre. It features a Jahn-Teller-distorted octa-hedral coordination geometry, defined by four N atoms of four 1-vinyl-imidazole ligands in the equatorial plane and two nitrate O atoms in the axial positions. The nitrate anion is disordered over two sets of sites in a 0.801?(6):0.199?(6) ratio. In the crystal, the complex mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3414114 | biostudies-literature

Tetra-kis(1H-benzimidazole-?N)(nitrato-?O)copper(II) nitrate.

Project description:In the title salt, [Cu(NO(3))(C(7)H(6)N(2))(4)]NO(3), one nitrate anion is coordinated to the Cu(II) atom, which is also coordinated by the N atoms of four N-heterocycles. The geometry at the metal atom is a square pyramid in which the O atom of the anion occupies the apical position [Cu-O = 2.468?(5) and 2.590?(7)?Å in the two independent formula units]. The cation lies on a twofold rotation axis; the coordinated nitrate anion is also disordered about this symmetry element. The lattice anion is also disordered about a twofold rotation axis. In the crystal, the cations are linked to the coordinated and free anions by N-H?O hydrogen bonds.

| S-EPMC3120510 | biostudies-literature

Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate.

Project description:A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C(16)H(12)N(6)S(2)·2H(2)O, results in one-half of the mol-ecule and one uncoordinated water mol-ecule described in the asymmetric unit. In the mol-ecule, the mean planes of the benzene and triazole rings are close to being coplanar and are separated by a dihedral angle of 2.08 (15)°. The triazole rings are twisted by a dihedral angle of 37.67 (6)° from the disulfide linkage. The crystal packing is stabilized by inter-molecular N-H⋯O and O-H⋯N hydrogen bonds with the water mol-ecules, forming a three-dimensional supra-molecular network.

| S-EPMC3089328 | biostudies-literature

3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).

Project description:In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine mol-ecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3?(2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, the mean planes of the phenyl and 1,2,4-triazole rings form a dihedral angle of 30.8?(2)°. The ?-electron delocalization of the amino group with the 1,2,4-triazole nucleus in the 3-phenyl-1,2,4-triazol-5-amine mol-ecule is more extensive than that in the 5-phenyl-1,2,4-triazol-3-amine tautomer. The mol-ecules are linked into a two-dimensional network parallel to (100) by N-H?N hydrogen bonds.

| S-EPMC2968046 | biostudies-literature

1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetra-hydrate.

Project description:In the title compound, C(12)H(12)N(6)·4H(2)O, the two triazole rings adopt a cis configuration with a crystallographic twofold axis passing through the central benzene group. The benzene and triazole rings are almost coplanar with a dihedral angle of 5.5?(1)°. In the crystal, water mol-ecules are joined together by OW-H?OW hydrogen bonds to form a one-dimensional zigzag chain. These water chains are further connected to the organic mol-ecule, forming a three-dimensional network by inter-molecular OW-H?N and N-H?OW hydrogen bonds. Moreover, ?-? stacking inter-actions between triazole rings [centroid-centroid distances = 3.667?(1)-3.731?(1)?Å] are observed. One of the water mol-ecules shows one of the H atoms to be disordered over two positions.

| S-EPMC3089122 | biostudies-literature

Bis[bis-(3,5-diamino-1H-1,2,4-triazol-4-ium)copper(I)] tris-(hexa-fluoridosilicate).

Project description:In the title compound, [Cu(C(2)H(6)N(5))(2)](2)(SiF(6))(3), the asymmetric unit is composed of one [Cu(HL)(2)](3+) cation (where L is 3,5-diamino-1,2,4-triazole) and one and a half SiF(6) (2-) anions. The rather large positively charged guanazole ligand moiety promotes the low metal coordination number of 2 for the Cu(I) atom. The compound was obtained using the electrochemical alternating-current technique starting from an ethanol-methanol solution of CuSiF(6)·4H(2)O and guanazole. In the crystal, N-H⋯F hydrogen bonds play an important role in the formation of a three-dimensional network. As a result of these hydrogen bonds, there are also π-π inter-actions [centroid-centroid distance = 3.3024 (14) Å] involving one of the triazole groups in mol-ecules related by an inversion center, and short Cu⋯N inter-actions [2.909 (3) Å] involving an -NH(2) group, leading to the formation of a dimer-like arrangement.

| S-EPMC3009260 | biostudies-literature

catena-Poly[[bis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-κN]cadmium(II)]-di-μ-azido-κN:N].

Project description:In the crystal structure of the title complex, [Cd(N(3))(2)(C(11)H(11)N(31))(2)](n), there are two crystallographically independent Cd(II) atoms. Both exist in an octa-hedral environment composed of four N atoms of the N(3) (-) groups and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands that are positioned trans to each other. Adjacent Cd(II) centres in the crystal structure are bridged by a pair of N(3) (-) anions in a μ-1,3-fashion, forming an infinite one-dimensional array.

| S-EPMC2961553 | 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