Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Li Y

PROVIDER: S-EPMC2977238 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Li Yanfei Y Sun Junshan J Feng Shanghua S Xue Ruigang R Wang Jun J

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

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 π-π inter-actions between the aromatic rings of ...[more]

PMID: 21583326

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

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

Project description: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.

| S-EPMC2914951 | biostudies-literature

catena-Poly[[aqua-(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-di-carboxyl-ato].

Project description:The title compound, [Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)](n), is a new coordination polymer of benzene-1,4-dicarboxyl-ate with cadmium(II) and 1,10-phenanthroline. The Cd(II) ion is coordinated by two N atoms from the 1,10-phenanthroline mol-ecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxyl-ate ligands and the O atom of a coordinated water mol-ecule, forming a heavily distorted octa-hedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxyl-ate ligands each coordinate to two Cd(II) ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π-π inter-actions [centroid-centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxyl-ate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O-H⋯O hydrogen bonds between the coordinated water mol-ecules and the O atoms of the carboxyl-ate groups, forming a three-dimensional network.

| S-EPMC2967922 | biostudies-literature

4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate.

Project description:The asymmetric unit of the title compound, C24H16N2·0.5CH3OH, is comprised of two independent bathophenanthroline mol-ecules (systematic name: 4,7-diphenyl-1,10-phenanthroline) and one methanol mol-ecule. The bathophenanthroline mol-ecules are not planar as there is a considerable rotation of all terminal phenyl rings with respect to the central phenanthroline units [dihedral angles in the range 52.21 (12)-62.14 (10)°]. In addition, a non-negligible torsion is apparent in one of the phenanthroline units: the angle between the mean planes of the two pyridine rings is 14.84 (13)°. The methanol solvent mol-ecule is linked to both N atoms of a bathophenanthroline mol-ecule through a bifurcated O-H⋯(N,N) hydrogen bond.

| S-EPMC3772457 | biostudies-literature

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-(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

Crystal structure of aqua-bis-(hepta-fluoro-butano-ato-?O)(1,10'-phenanthroline-?(2) N,N')copper(II).

Project description:The title compound, [Cu(C4F7O2)2(C12H8N2)(H2O)], is mononuclear and contains a penta-coordinated Cu(II) ion. The geometry of Cu(II) ion can be described as distorted square-pyramidal with two O atoms of two butano-ate anions and two N atoms of the o-phenanthroline ligand occupying the basal plane, and a water O atom located at the axial position. In the crystal, C-H?(O,F) and O-H?(O,F) hydrogen bonds and ?-? inter-actions [centroid-to-centroid distance 3.533?(2)?Å] link the mol-ecules into a three-dimensional supra-molecular structure.

| S-EPMC4704741 | 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

Poly[[aqua-(?(7)-biphenyl-3,3',4,4'-tetra-carboxyl-ato)(1,10-phenanthroline)dicobalt(II)] monohydrate].

Project description:In the title compound, {[Co(2)(C(16)H(6)O(8))(C(12)H(8)N(2))(H(2)O)(2)]·H(2)O}(n), one Co(II) ion has a {CoN(2)O(4)} distorted octa-hedral environment defined by two N atoms of one 1,10-phenanthroline (phen) ligand, three O atoms of the carboxyl-ate groups of three biphenyl-3,3',4,4'-tetra-carboxyl-ate (BPTC) ligands, one of which is bidentate, and one O atom from one coordinated water mol-ecule. The other Co(II) atom is surrounded by six O atoms from four different BPTC ligands and one coordinated water mol-ecule. Each BPTC ligand forms eight coordination bonds with seven Co(II) atoms, leading to a layer structure along the ac plane. Uncoordinated water mol-ecules occupy the space between the layers, and inter-act via inter-layer O-H?O hydrogen bonds along the b axis, generating a three-dimensional supra-molecular network.

| S-EPMC3212184 | biostudies-other

(?-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H?O hydrogen bonds and ?-? stacking inter-ations [centroid-centroid distances = 3.646?(2), 3.781?(2) and 3.642?(2)?Å] consolidate the crystal packing.

| S-EPMC3011463 | 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