Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Chlorido(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

ABSTRACT: The title complex, [Cu(C(3)H(2)N(3)O(2))Cl(C(12)H(8)N(2))], crystallizes with two independent mol-ecules in the asymmetric unit. Each Cu(II) atom is coordinated by an N atom and an O atom from the bidentate 1H-1,2,4-triazole-3-carboxyl-ate ligand, two N atoms from the 1,10-phenanthroline ligand, and the Cl atom. The coordination geometry is based on a ClN(3)O square pyramid. In the crystal structure, the mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds.

SUBMITTER: Zhu J

PROVIDER: S-EPMC2914951 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

Project description:In the title complex, [Cu(C(3)H(2)N(3)O(2))(NO(3))(C(12)H(8)N(2))], the Cu(II) ion is coordinated by an N and an O atom from a bidentate 1H-1,2,4-triazole-3-carboxyl-ate (TRIA) ligand, two N atoms from a 1,10-phenanthroline (phen) ligand, and an O atom from a nitrate ligand in a slightly distorted square-pyramidal environment. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into one-dimensional chains propagating along the b axis direction.

| S-EPMC2960337 | biostudies-literature

Diaqua-bis(1H-1,2,4-triazole-3-carboxyl-ato)cadmium(II).

Project description:In the title complex, [Cd(C(3)H(2)N(3)O(2))(2)(H(2)O)(2)], the Cd(II) atom is coordinated by two N and two O atoms from two deprotonated 1H-1,2,4-triazole-3-carboxylic acid ligands (TRIA) and two water mol-ecules. The Cd atom is located on an inversion centre. In the crystal structure, mol-ecules are linked together via O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2915071 | biostudies-literature

Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

| S-EPMC2977176 | biostudies-literature

Aqua-(furan-2-carboxyl-ato-?O)(furan-2-carboxyl-ato-?O,O')(1,10-phenanthroline-?N,N')copper(II) methanol hemisolvate.

Project description:The asymmetric unit of the title compound, [Cu(C(5)H(3)O(3))(2)(C(12)H(8)N(2))(2)(H(2)O)]·0.5CH(3)OH, contains two Cu(II) complex mol-ecules and one methanol solvent mol-ecule with the metal centres in strongly distorted octahedral coordination. The coordinated water mol-ecule is involved in inter-molecular O-H?O hydrogen bonding, which links the complex mol-ecules into chains propagating along the c axis. Neighbouring chains inter-act further via ?-? inter-actions between the aromatic rings of 1,10-phenanthroline fragments [centroid-centroid distances = 3.726?(4) and 3.750?(4)?Å].

| S-EPMC2977238 | biostudies-literature

Chlorido-bis-(1,10-phenanthroline-κ(2) N,N')copper(II) chlorido-(1,10-phen-anthroline-κ(2) N,N')(pyridine-2,6-di-carboxyl-ato-κ(3) O (2),N,O (6))manganate(II) methanol monosolvate.

Project description:The title complex, [CuCl(C12H8N2)2][Mn(C7H3NO4)Cl(C12H8N2)]·CH3OH, consists of discrete [CuCl(phen)2](+) cations (phen is 1,10-phenanthroline), [MnCl(pydc)(phen)](-) anions (H2pydc is 2,6-pyridine-2,6-di-carb-oxy-lic acid) and one methanol solvent mol-ecule of crystallization per asymmetric unit. It should be noted, that a solvent-masking procedure as implemented in OLEX2 [Dolomanov et al. (2009). J. Appl. Cryst. 42, 339-341 ▶] was used to remove the electronic contribution from one disordered solvent molecule, presumably methanol. Only the atoms used in the refined model are reported in chemical formula and related values. The Cu(II) ion is five-coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal-bipyramidal geometry. The dihedral angle between the phen ligands is 65.21 (5)°. The Mn(II) ion is six-coordinated by one Cl atom, two N atoms from a phen ligand, as well one N atom and two O atoms from pydc in a distorted octa-hedral coordination geometry, with cis angles ranging from 72.00 (8) to 122.07 (8)° and trans angles ranging from 143.98 (8) to 163.15 (6)°. In the crystal, C-H⋯O, O-H⋯O and C-H⋯Cl hydrogen bonds, cation-anion π-π inter-actions between the phen ring systems with centroid-centroid distances in the range 3.881 (34)-4.123 (36) Å, as well as cation-cation, anion-anion π-π inter-actions between the phen rings with centroid-centroid distances in the range 3.763 (4)-3.99 (5) Å and pydc rings with centroid-centroid distances 3.52 (5) Å link the various components.

| S-EPMC3998582 | biostudies-literature

(3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxyl-ato)bis-(1,10-phenanthroline)nickel(II) 3.5-hydrate.

Project description:The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water mol-ecules. One of the water mol-ecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of Ni(II) has a slightly distorted octa-hedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxyl-ate and two N,N'-chelating phenanthroline mol-ecules. In the crystal, O-H?O, N-H?O and O-H?N hydrogen bonds involving the solvent water mol-ecules and pyrazole-5-carboxyl-ate ligands form layers parallel to the ab plane. These layers are linked further via weak ?-? inter-actions between two adjacent phenanthroline mol-ecules, with centroid-to-centroid distances in the range 3.886?(2)-4.018?(1)?Å, together with C-H?? contacts, forming a three-dimensional network.

| S-EPMC3772441 | biostudies-literature

Dichloridotetra-kis-(1H-1,2,4-triazole-?N(4))copper(II).

Project description:The central Cu(II) atom of the molecular title complex, [CuCl(2)(C(2)H(3)N(3))(4)], is situated on a site with symmetry 2.22. It is six-coordinated in an elongated octa-hedral geometry, with the equatorial plane defined by four N atoms of four 1,2,4-triazole ligands and the axial positions occupied by two Cl atoms situated on a twofold axis. The mol-ecules are connected via N-H?Cl hydrogen bonds and the crystal consists of two inter-penetrating three-dimensional hydrogen-bonded frameworks.

| S-EPMC3343794 | biostudies-literature

Di-?-chlorido-bis-[(1,10-phenanthroline-?N,N')(trichloro-acetato-?O)copper(II)].

Project description:The title compound, [Cu(2)(C(2)Cl(3)O(2))(2)Cl(2)(C(12)H(8)N(2))(2)], features a centrosymmetric binuclear complex. The coordination geometry around the Cu(II) atom is square-pyramidal, comprising two N atoms from a symmetrically chelating 1,10-phenanthroline ligand, one O atom from a trichloro-acetate ligand and two Cl(-) anions. In addition, there is a weak intra-molecular Cu?O inter-action of 2.9403?(14)?Å involving the carbonyl O atom of the trichloro-acetate ligand. The central Cu(2)Cl(2) core takes the form of a rhombus, owing to the disparate Cu-Cl bond lengths. Mol-ecules are connected in the crystal structure by C-H?Cl and C-H?O inter-actions.

| S-EPMC3297214 | biostudies-literature

Aqua-chlorido(4-methyl-benzoato-?O)(1,10-phenanthroline-?N,N')copper(II).

Project description:In the title mononuclear complex, [Cu(C(8)H(7)O(2))Cl(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is coordinated by one carboxylate O atom from a monodentate 4-methyl-benzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water mol-ecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intra-molecular C-H?Cl, C-H?O, O-H?Cl and O-H?O hydrogen bonds, as well as C-H?? inter-actions of phenanthroline and methyl H atoms towards the ?-systems of neighboring 4-methyl-benzoate units and the pyridine rings of the phenanthroline system [centroid-centroid distances are 2.706?(2) and 2.992?(1)?Å, respectively].

| S-EPMC2961304 | biostudies-literature

Chlorido(pentane-2,4-dionato-?O,O')(1,10-phenanthroline-?N,N')copper(II).

Project description:The Cu(II) atom in the title compound, [Cu(C(5)H(7)O(2))Cl(C(12)H(8)N(2))], shows a distorted square-planar coordination; the chelating N and O atoms occupy the basal sites and the Cl atom the apical site. The square-pyramidal character along the Berry D(3h)-C(4v) pseudorotation pathway is 92%.

| S-EPMC2977398 | 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