Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-(3-formyl-2-oxidobenzoato-?O,O)(1,10-phenanthroline-?N,N')copper(II) dimethyl-formamide solvate.

ABSTRACT: In the structure of the title complex, [Cu(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)]·C(3)H(7)NO, the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of a 3-formyl-2-oxidobenzoate dianion and two N atoms of a 1,10-phenanthroline ligand occupying the basal plane and a water O atom located at the apical site. The structure displays O-H?O hydrogen bonding and inter-molecular ?-? stacking inter-actions between 1,10-phenantroline ligands [inter-planar distance of 3.448?(5)?Å].

SUBMITTER: Yu ZW

PROVIDER: S-EPMC2977551 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-(3-formyl-2-oxidobenzoato-κO,O)(1,10-phenanthroline-κN,N')copper(II) dimethyl-formamide solvate.

Yu Zhao-Wen ZW Chang Ling L Song Peng P He Min-Hui MH

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the structure of the title complex, [Cu(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)]·C(3)H(7)NO, the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of a 3-formyl-2-oxidobenzoate dianion and two N atoms of a 1,10-phenanthroline ligand occupying the basal plane and a water O atom located at the apical site. The structure displays O-H⋯O hydrogen bonding and inter-molecular π-π stacking inter-actions between 1,10-phenantroline ligands [inter-planar distance of 3.4 ...[more]

PMID: 21583737

Similar Datasets

Aqua-(3-formyl-2-oxidobenzoato-κO,O)(1,10-phenanthroline-κN,N')copper(II) methanol solvate.

Project description:In the structure of the title complex, [Cu(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)]·CH(4)O, the Cu(II) ion is penta-coordinated in a tetra-gonal-pyramidal geometry, with two O atoms of the 3-formyl-2-oxidobenzoate (3-formyl-salicylate) anion and two N atoms of 1,10-phenanthroline occupying the basal plane, and a water O atom located at the apical site. The structure displays O-H⋯O hydrogen bonding.

| S-EPMC2960304 | biostudies-literature

Aqua-chloridobis(1,10-phenanthroline-κN,N')zinc(II) chloride N,N-dimethyl-formamide solvate.

Project description:The Zn atom in the title salt, [ZnCl(C(12)H(8)N(2))(2)(H(2)O)]Cl·C(3)H(7)NO, is chelated by two phenanthroline mol-ecules and is bonded to one chloride ion and one water mol-ecule, resulting in a ZnN(4)ClO octa-hedral coordination environment with the Cl and O atoms in a cis conformation. The cations and anions are linked by O-H⋯Cl hydrogen bonds across a center of inversion, forming a hydrogen-bonded dimeric association. The dimethyl-formamide solvent mol-ecule is disordered over two orientations in a 0.56 (1):0.44 (1) ratio.

| S-EPMC2960305 | biostudies-literature

cis-Dichloridobis(1,10-phenanthroline)cobalt(II) dimethyl-formamide solvate.

Project description:In the title complex, [CoCl(2)(C(12)H(8)N(2))(2)]·C(3)H(7)NO, which has twofold rotation symmetry, the Co(II) cation is coordinated by two 1,10-phenanthroline (phen) mol-ecules and two chloride ligands in a distorted octa-hedral geometry. In the crystal structure, a cavity is created by six complex mol-ecules connected by C-H?? inter-actions and non-classical C-H?Cl hydrogen bonds. The cavities are occupied by the disordered dimethyl-formamide solvent mol-ecule. The C and N atoms of the C-N bond in the solvent mol-ecule also lie on a crystallographic twofold rotation axis; the remaining atoms of the solvent are statistically disordered (ratio 0.5:0.5) about this axis.

| S-EPMC2959430 | biostudies-other

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-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(2-hydroxy-benzoato-?O)manganese(II) 2,9-dimethyl-1,10-phenanthroline hemisolvate.

Project description:In the asymmetric unit of the title complex, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·0.5C(14)H(12)N(2), the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule, one water mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted trigonal-bipyramidal geometry. The OH group of the 2-hydroxy-benzoate anion is disordered over two positions with site-occupancy factors of 0.5. The asymmetric unit is completed with by an uncoordinated half-mol-ecule of dmphen, disordered about a crystallographic twofold axis. In the crystal structure, mol-ecules are linked into a two-dimensional framework by O-H?N, O-H?O and C-H?O hydrogen bonds. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027?(3) and 3.6319?(3)?Å.

| S-EPMC2968132 | biostudies-literature

Dichlorido(2,9-dimethyl-1,10-phenanthroline-?N,N')copper(II).

Project description:In the title compound, [CuCl(2)(C(14)H(12)N(2))], the complex molecule has m symmetry, with the mirror plane oriented parallel to the planar molecule and the ligated Cu(II) atom. The metal centre has a distorted tetra-hedral coordination formed by two N atoms from one 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. There is inter-molecular ?-? stacking between adjacent 2,9-dimethyl-1,10-phenanthroline ligands, with a centroid-centroid distance of 3.733?(2)Å.

| S-EPMC2970365 | biostudies-literature

Bis[(cyanido-?C)bis(1,10-phenanthroline-?(2)N,N')copper(II)] pentakis-(cyanido-?C)nitro-soferrate(II) dimethyl-formamide monosolvate.

Project description:The title compound, [Cu(CN)(C(12)H(8)N(2))(2)](2)[Fe(CN)(5)(NO)]·C(3)H(7)NO, is formed of discrete [Cu(phen)(2)CN](+) cations (phen is 1,10-phenanthroline), nitro-prusside [Fe(CN)(5)(NO)](2-) anions and dimethyl-formamide (DMF) mol-ecules of crystallization. The metal atom has a distorted trigonal-bipyra-midal coordination environment, defined by four N atoms of two phen mol-ecules and a C atom of the cyanide group (in the equatorial position). The [Fe(CN)(5)(NO)](2-) anion was found to be disordered about (but not on) a crystallographic twofold rotation axis. Geometries were restrained to ideal values. The dimethyl-formamide solvent mol-ecule was found to be disordered about a crystallographic inversion centre.

| S-EPMC3435627 | 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

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(3-hydroxy-benzoato-?O)manganese(II)-2,9-dimethyl-1,10-phenanthroline-water (1/1/1).

Project description:In the title compound, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·H(2)O, the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two monodentate 3-hydroxy-benzoate anions (3-HBA) and one water mol-ecule in a distorted trigonal-bipyramidal environment. An uncoordinated dmphen and an uncoordinated water mol-ecule cocrystallized with each complex mol-ecule. Intra- and inter-molecular O-H?N and O-H?O hydrogen bonds are also present between the coordinated 3-HBA and water mol-ecules and the uncoordinated dmphen and water mol-ecules in the crystal. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705?(3)?Å.

| S-EPMC2977455 | 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 ›

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