Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Tovar-Tovar A

PROVIDER: S-EPMC3238705 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Tovar-Tovar Araceli A García-Ramos Juan-Carlos JC Flores-Alamo Marcos M Ruiz-Azuara Lena L

Acta crystallographica. Section E, Structure reports online 20111123 Pt 12

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 (τ = 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 pres ...[more]

PMID: 22199582

Similar Datasets

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

Project description: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.

| S-EPMC2979221 | biostudies-literature

Aqua-(2-hydrazino-1,10-phenanthroline)nitratocopper(II) nitrate.

Project description:In the title mononuclear complex, [Cu(NO(3))(C(12)H(10)N(4))(H(2)O)]NO(3), the Cu(II) ion assumes a distorted square-pyramidal geometry. There is a ?-? stacking inter-action between the five-membered ring containing the Cu atom and a pyridine ring of a neighboring complex [centroid-centroid distance = 3.567?(2)?Å and a perpendicular distance of 3.394?Å]. The crystal structure also contains inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds, linking cations and anions. In addition, there is a short inter-molecular contact [2.784?(6)?Å] between an O atom of the coordinated nitrate group and its symmetry-related atom.

| S-EPMC2961415 | biostudies-literature

Aqua-(hippurato)bis-(1,10-phenanthroline)cobalt(II) nitrate monohydrate.

Project description:In the title compound, [Co(C(9)H(8)NO(3))(C(12)H(8)N(2))(2)(H(2)O)]NO(3)·H(2)O, the Co(II) atom is six-coordinated by a carboxylate O atom of the hippurate (Hc) anion, a water O atom and four N atoms from two 1,10-phenanthroline ligands in a distorted octa-hedral geometry. The uncoordinated O atom of the hippuric acid anion is involved in an intra-molecular hydrogen bond to the coordinated water mol-ecule. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds involving the Hc anions, the coordinated water mol-ecule, the nitrate anion and the uncoordinated water mol-ecule.

| S-EPMC3009208 | 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-?O)(1,10-phenanthroline-?N,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, ?-? 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

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(2-chloro-acetato-?O)(1,10-phenanthroline-?N,N')copper(II).

Project description:In the title complex, [Cu(C(2)H(2)ClO(2))(2)(C(12)H(8)N(2))(H(2)O)], the Cu(II) ion is five-coordinated by two N atoms [Cu-N = 2.005?(2) and 2.029?(2)?Å] from the 1,10-phenanthroline ligand, two O atoms [Cu-O = 1.943?(2)-1.966?(2)?Å] from two 2-chloro-acetate ligands and one water mol-ecule [Cu-O = 2.253?(2)?Å] in a distorted square-pyramidal geometry. The crystal structure exhibits inter-molecular O-H?O hydrogen bonds, short Cl?Cl contacts [3.334?(1)?Å] and ?-? inter-actions [centroid-centroid distance 3.621?(11)?Å].

| S-EPMC2960263 | 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

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