Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-(1,10-phenanthroline-?N,N')(dl-threoninato-?N,O)copper(II) chloride dihydrate.

ABSTRACT: The asymmetric unit of the title compound, [Cu(C(4)H(8)NO(3))(C(12)H(8)N(2))(H(2)O)]Cl·2H(2)O, contains a complex cation, a chloride anion and two water mol-ecules. The Cu(II) ion has a distorted square-pyramidal coordination geometry formed by one bidentate phenanthroline ligand, one O,N-bidentate dl-threoninate ligand and one apical water mol-ecule. In the crystal structure, inter-molecular O-H?O, N-H?O, N-H?Cl and O-H?Cl hydrogen bonds link the components into layers. A single weak inter-molecular C-H?O inter-action connects these layers into a three-dimensional network.

SUBMITTER: Tan YH

PROVIDER: S-EPMC2979221 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-(1,10-phenanthroline-κN,N')(dl-threoninato-κN,O)copper(II) chloride dihydrate.

Tan Yi-Han YH Teoh Siang-Guan SG Sek Kei-Lin KL Loh Wan-Sin WS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

The asymmetric unit of the title compound, [Cu(C(4)H(8)NO(3))(C(12)H(8)N(2))(H(2)O)]Cl·2H(2)O, contains a complex cation, a chloride anion and two water mol-ecules. The Cu(II) ion has a distorted square-pyramidal coordination geometry formed by one bidentate phenanthroline ligand, one O,N-bidentate dl-threoninate ligand and one apical water mol-ecule. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the components into layers. A single weak inter-mole ...[more]

PMID: 21579068

Similar Datasets

Aqua-(1,10-phenanthroline-?N,N')(valinato-?N,O)copper(II) nitrate dihydrate.

Project description:In the title compound, [Cu(C(5)H(10)NO(2))(C(12)H(8)N(2))(H(2)O)]NO(3)·2H(2)O, the Cu(II) atom displays a distorted square-pyramidal coordination (? = 0.03) where the water mol-ecule occupies the apical position and the base is defined by the N atom, one of the O atoms from the valinate ligand, and both phenanthroline N atoms. The phenanthroline chelate ring plane is slightly distorted from planarity (r.m.s. deviation = 0.0057?Å), whereas the five-membered ring formed by the valinate ligand presents an envelope conformation with the N atom being the flap atom. The crystal packing is stabilized by O-H?O and N-H?O hydrogen-bonding inter-actions, creating a three-dimensional network superstructure.

| S-EPMC3238705 | biostudies-literature

(Acetyl-acetonato)(dicyanamido)(1,10-phenanthroline)copper(II) dihydrate.

Project description:In the title compound, [Cu(C(5)H(7)O(2))(C(2)N(3))(C(12)H(8)N(2))]·2H(2)O, the Cu(II) atom is five-coordinated in a square-pyramidal geometry with two acetyl-acetonate O and two phenanthroline N atoms forming the base. The apical position is occupied by the central N atom of the dicyanamide ligand. The dicyanamide N atoms are each involved in hydrogen bonds to water mol-ecules. There are also hydrogen bonds between both the water mol-ecules and their centrosymmetric pairs, creating a hydrogen-bonded chain along the b-axis direction.

| S-EPMC3007884 | biostudies-literature

Di-?-methacrylato-?O:O'-bis-[aqua-bis(1,10-phenanthroline-?N,N')copper(II)] dinitrate dihydrate.

Project description:The title complex, [Cu(2)(C(4)H(5)O(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](NO(3))(2)·2H(2)O, contains a dimeric [Cu(2)(C(4)H(5)O(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) dication with two five-coordinated Cu(II) ions linked by two methacrylate ions in a syn-syn bridging arrangement. The dication possesses pseudo-twofold rotational symmetry. The penta-coordination of each Cu(II) ion has a distorted square-pyramidal geometry, with two N donors from a phenanthroline ligand and two carboxyl-ate O atoms occupying basal sites and the apical position being occupied by a water mol-ecule. In the crystal packing, mol-ecules are linked to form a three-dimensional framework by O-H?O and C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distances of 3.6039?(15), 3.5301?(15), 3.6015?(15), 3.6496?(15) and 3.6858?(15)?Å].

| S-EPMC2961707 | biostudies-literature

Tetra-aqua-(1,10-phenanthroline-?N,N')cadmium(II) sulfate dihydrate.

Project description:In the title mononuclear complex, [Cd(C(12)H(8)N(2))(H(2)O)(4)]SO(4)·2H(2)O, the coordination geometry around the Cd(II) atom is a distorted octa-hedron, with two aqua ligands occupying the axial positions. Inter-molecular O-H?O hydrogen bonds lead to the formation of a two-dimensional layer structure parallel to (001). The layers are connected by ?-? inter-actions between the pyridyl and benzene rings of the phenanthroline ligands [centroid-centroid distances = 3.591?(1) and 3.610?(1)?Å].

| S-EPMC3007401 | biostudies-literature

Aqua-bis(dichloro-acetato-κO)(1,10-phenanthroline-κN,N')copper(II).

Project description:In the title complex, [Cu(C(2)HCl(2)O(2))(2)(C(12)H(8)N(2))(H(2)O)], the Cu(II) ion has a distorted square-pyramidal coordination geometry. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 1.994 (3) and 2.027 (3) Å] and two O atoms from dichloro-acetate ligands and a water mol-ecule [Cu-O = 1.971 (2) and 1.939 (2) Å]. One O atom from another dichloro-acetate ligand occupies the apical positon [Cu-O = 2.152 (3) Å]. Inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The crystal packing also exhibits weak inter-molecular C-H⋯O hydrogen bonds, π-π inter-actions [centroid-centroid distance = 3.734 (2) Å] and short inter-molecular Cl⋯Cl contacts [3.306 (2) and 3.278 (2) Å].

| S-EPMC2968015 | biostudies-literature

cis-Aqua-chloridobis(1,10-phenanthroline-?N,N')cobalt(II) chloride 2.5-hydrate.

Project description:In the title complex, [CoCl(C(12)H(8)N(2))(2)(H(2)O)]Cl·2.5H(2)O, the Co(II) ion is coordinated by four N atoms of two bis-chelating 1,10-phenanthroline (phen) ligands, one water mol-ecule and a chloride ligand in a distorted octa-hedral environment. The dihedral angle between the two phen ligands is 84.21?(3)°. In the crystal structure, complex mol-ecules and chloride ions are linked into centrosymmetric four-component clusters by inter-molecular O-H?Cl hydrogen bonds. Of the 2.5 solvent water mol-ecules in the asymmetric unit, two were refined as disordered over two sites with fixed occupancies of ratios 0.50:0.50 and 0.60:0.40, while another was refined with half occupancy.

| S-EPMC2971197 | biostudies-literature

A dinuclear copper complex: bis-(μ-4-amino-benzoato)bis-[aqua(1,10-phenanthroline)copper(II)] dichloride bis(4-amino-benzoic acid) dihydrate.

Project description:The title complex, [Cu(2)(C(7)H(6)NO(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)]·2C(7)H(7)NO(2)·2H(2)O, consists of a dinuclear [Cu(2)(C(7)H(6)NO(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) cation, two Cl(-) anions, two 4-amino-benzoic acid mol-ecules and two disordered water mol-ecules (site occupancy factors 0.5). The Cu(II) ion adopts a distorted square-pyramidal geometry formed by two N atoms from the 1,10-phenanthroline ligand and two O atoms of the two 4-amino-benzoic acid ligands and one water O atom. The Cu⋯Cu separation is 3.109 (2) Å. A twofold axis passes through the mid-point of the Cu⋯Cu vector.

| S-EPMC2961994 | biostudies-literature

Bis(μ-4-chloro-2-oxidobenzoato)bis-[(1,10-phenanthroline)copper(II)] dihydrate.

Project description:The structure of the the title compound, [Cu(2)(C(7)H(3)ClO(3))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of a dimeric unit involving a planar Cu(2)O(2) group arranged around an inversion center. The coordination sphere of the Cu(II) atom can be described as an elongated distorted square pyramid where the basal plane is formed by the two N atoms of the 1,10-phenanthroline mol-ecule and the two O atoms of the hydroxy-chloro-benzoate (hcbe) anion. The long apical Cu-O distance of 2.569 (2) Å involves the O atom of a symmetry-related hcbe anion, building up the dinuclear unit. Each dinuclear unit is connected through O-H⋯O hydrogen bonds involving two water mol-ecules, resulting in an R(4) (2)(8) graph-set motif and building up an infinite chain parallel to (10). C-H⋯O inter-actions further stabilize the chain.

| S-EPMC2983983 | biostudies-literature

Aqua-bis-(3-fluoro-benzoato-?O)(1,10-phenanthroline-?N,N')copper(II).

Project description:In the title compound, [Cu(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the coordination around the Cu(II) atom is square-pyramidal. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 2.008?(3) and 2.019?(3)?Å] and two O atoms from 3-fluoro-benzoate ligands and a water mol-ecule [Cu-O = 1.950?(2) and 1.978?(2)?Å]. One O atom from another 3-fluoro-benzoate ligand occupies the apical positon [Cu-O = 2.210?(2)?Å]. Hydrogen bonds occur between coordinated water mol-ecules and benzoate ligands, while O-H?O, C-H?O, C-H?F and ?-? stacking [centroid-centroid distance = 3.731?(2)?Å] inter-actions consolidate the crystal packing.

| S-EPMC3089262 | 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

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