Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dichloridobis[3-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]copper(II) 3.33-hydrate.

ABSTRACT: In the title compound, [CuCl(2)(C(14)H(12)N(4))(2)]·3.33H(2)O, the Cu(II) atom is coordinated by two chelating 3-methyl-4-phenyl-5-(2-pyrid-yl)-1,2,4-triazole ligands and two chloride anions in a distorted octa-hedral geometry with a CuN(2)N(') (2)Cl(2) chromophore. The Cu atom is located on an inversion center. Two uncoordinated water mol-ecules lie on threefold rotation axes with disordered H atoms. Two hydrogen bonds are formed between the water mol-ecules, and another between water and a chlorido ligand.

SUBMITTER: Wang Z

PROVIDER: S-EPMC2960994 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Dichloridobis[3-meth-oxy-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]chromium(III) chloride.

Project description:In the title complex, [CrCl(2)(C(15)H(14)N(4)O)(2)]Cl, the Cr(III) atom is located on a twofold rotation axis and is coordinated by two N,N'-bidentate triazole derivatives and two chloride ions in a distorted octa-hedral CrN(2)N'(2)Cl(2) geometry. One of the two independent Cl(-) counter-anions sits on a special position (site symmetry [Formula: see text].) and is fully occupied, whereas the other is disordered around a twofold rotation axis over two positions in a 2:3 ratio.

| S-EPMC3246925 | biostudies-literature

4-(3-Methyl-phen-yl)-3-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole.

Project description:In the title compound, C(20)H(16)N(4), the m-tolyl and phenyl substituents form dihedral angles of 74.20?(6) and 36.94?(8)°, respectively, with the 1,2,4-triazole ring and the dihedral angle between the triazole and pyridine rings is 36.06?(9)°. In the crystal, mol-ecules are linked by C-H?N and C-H?? inter-actions.

| S-EPMC2971754 | biostudies-literature

Dichlorido[3-meth-oxy-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-?N,N]copper(II).

Project description:In the title complex, [CuCl(2)(C(15)H(14)N(4)O)], the Cu(II) atom possesses a highly distorted square-planar geometry with N-Cu-N and Cl-Cu-Cl angles of 79.86?(8) and 98.65?(3)°, respectively, while the Cl-Cu-N angles fall into two distinct groups with values of 95.26?(6), 98.75?(6), 150.56?(6) and 152.04?(6)°. The pyridyl ring is twisted by 9.4?(2)° with respect to the triazole ring, which is oriented at approximately right angles [84.66?(8)°] with respect to the phenyl ring.

| S-EPMC3200827 | biostudies-other

4-Ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate.

Project description:The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73 (8)°. In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.

| S-EPMC2961273 | biostudies-literature

3,4-Bis(2-pyrid-yl)-5-(3-pyrid-yl)-4H-1,2,4-triazole.

Project description:In the title mol-ecule, C(17)H(12)N(6), the 2-pyridyl rings in the 3- and 4-positions and the 3-pyridyl ring in the 5-position make dihedral angles of 29.78?(16), 67.06?(16) and 32.97?(16)°, respectively, with the triazole group. The dihedral angle between the two 2-pyridyl rings is 65.72?(15)°. The dihedral angles between the 3-pyridyl ring and the two 2-pyridyl rings in the 3- and 4-positions are 61.28?(15) and 63.11?(15)°, respectively. In the crystal, C-H?? and ?-? inter-actions [centroid-centroid distance = 3.6248?(19)?Å] link the mol-ecules, forming a two-dimensional network.

| S-EPMC3089253 | biostudies-literature

Di-μ-chlorido-bis-{[4-amino-3,5-bis-(2-pyrid-yl)-4H-1,2,4-triazole-κN]chloridomercury(II)}.

Project description:In the centrosymmetric binuclear title complex, [Hg(2)Cl(4)(C(12)H(10)N(6))(2)], the Hg(II) ion is five-coordinated by two N atoms and three chloride ions with a distorted square-pyramidal geometry. In the complex, there is an intra-molecular N-H⋯N hydrogen bond. In the crystal, the binuclear units are connected by inter-molecular N-H⋯Cl hydrogen bonds, as well as π-π stacking inter-actions [centroid-centroid distances = 3.526 (2) and 3.696 (2) Å], forming a two-dimensional layered structure parallel to (010).

| S-EPMC3200639 | biostudies-literature

Bis[3-ethyl-4-(4-methoxy-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]bis-(perchlorato-κO)copper(II) acetonitrile disolvate.

Project description:In the title compound, [Cu(ClO(4))(2)(C(16)H(16)N(4)O)(2)]·2CH(3)CN, the Cu(II) atom, located on an inversion center, is in a tetra-gonally distorted octa-hedral environment, coordinated by four N atoms of two bidentate 3-ethyl-4-(4-methoxy-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole ligands in equatorial positions and by the O atoms of two perchlorate groups in axial positions. The long axial Cu-O bond of 2.4743 (17) Å is the result of the Jahn-Teller effect.

| S-EPMC2961222 | biostudies-literature

Bis(2-hy-droxy-benzoato-κO)bis-[3-(4-meth-oxy-phen-yl)-4-(4-methyl-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]copper(II) dihydrate.

Project description:In the title complex, [Cu(C(7)H(5)O(3))(2)(C(21)H(18)N(4)O)(2)]·2H(2)O, the Cu(II) atom is located on a centre of inversion and exists in a tetra-gonally distorted octahedral geometry with a CuN(4)O(2) chromophore. The intra-molecular O-H⋯O hydrogen bond is highly strained due to the mol-ecular geometry and, as a result, is much shorter than expected. Inter-molecular C-H⋯O and C-H⋯O inter-actions are also observed.

| S-EPMC3120391 | biostudies-literature

4,4',5,5'-Tetra-phenyl-3,3'-[methyl-idene-bis(sulfanedi-yl)]bis-(4H-1,2,4-triazole).

Project description:The asymmetric unit of the title compound, C(29)H(22)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis. The two triazole rings form a dihedral angle of 27.6?(2)°. In the crystal, weak inter-molecular C-H?N hydrogen bonds link the mol-ecules into ribbons extending along [001].

| S-EPMC3009284 | biostudies-literature

catena-Poly[[dibromidozinc(II)]-?-4-(3-pyrid-yl)-4H-1,2,4-triazole].

Project description:The title complex, [ZnBr(2)(C(7)H(6)N(4))](n), was formed under hydro-thermal conditions using the ligand 4-(3-pyrid-yl)-4H-1,2,4-triazole (L). The unique Zn(II) ion is coordinated by one triazole N atom, one pyridine N atom and two Br atoms in a slightly distorted tetra-hedral coordination environment. Symmetry-related Zn(II) ions are connected by bridging L ligands into chains parallel to [001] in which the Zn?Zn separation is 8.643?(7)?Å. In the crystal structure, weak inter-molecular C-H?Br hydrogen bonds link the chains into a three-dimensional network.

| S-EPMC3007524 | 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