Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(?-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-?(2)O:O')bis[aqua(4,4''-di-fluoro-1,1':3',1''-terphenyl-2'-carboxyl-ato-?O)(pyridine-?N)cobalt(II)] diethyl ether disolvate.

ABSTRACT: The structure of the title compound, [Co(2)(C(19)H(11)F(2)O(2))(4)(C(5)H(5)N)(2)(H(2)O)(2)]·2C(4)H(10)O, comprises two Co(II) atoms in a distorted square pyramidal coordination environment, straddling a crystallographic inversion center with a Co?Co separation of 3.1923?(15)?Å. Each Co(2+) cation is coordinated by three O atoms of three 4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxyl-ate ligands, one water O atom and one pyridine N atom, forming a CoO(4)N polyhedron. Strong intra-molecular O-H?O hydrogen bonds are observed between terminal metal-bound carboxyl-ate groups and water O atoms.

SUBMITTER: Kim N

PROVIDER: S-EPMC3470148 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ(2)O:O')bis[aqua(4,4''-di-fluoro-1,1':3',1''-terphenyl-2'-carboxyl-ato-κO)(pyridine-κN)cobalt(II)] diethyl ether disolvate.

Kim Namseok N Yoon Yeahsel Y Lee Ha-Jin HJ Yoon Sungho S

Acta crystallographica. Section E, Structure reports online 20120915 Pt 10

The structure of the title compound, [Co(2)(C(19)H(11)F(2)O(2))(4)(C(5)H(5)N)(2)(H(2)O)(2)]·2C(4)H(10)O, comprises two Co(II) atoms in a distorted square pyramidal coordination environment, straddling a crystallographic inversion center with a Co⋯Co separation of 3.1923 (15) Å. Each Co(2+) cation is coordinated by three O atoms of three 4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxyl-ate ligands, one water O atom and one pyridine N atom, forming a CoO(4)N polyhedron. Strong intra-molecular O-H⋯ ...[more]

PMID: 23125592

Similar Datasets

Poly[[bis-(?-4,4'-bipyridyl-?N:N')bis-(thio-cyanato-?N)manganese(II)] diethyl ether disolvate].

Project description:In the title compound, {[Mn(NCS)(2)(C(10)H(8)N(2))(2)]·2C(4)H(10)O}(n), the Mn(II) ion is coordinated by four N-bonded 4,4'-bipyridine (bipy) ligands and two N-bonded thio-cyanate anions in a distorted octa-hedral coordination geometry. The asymmetric unit consists of one Mn(II) ion and two bipy ligands each located on a twofold rotation axis, as well as one thio-cyanate anion and one diethyl ether mol-ecule in general positions. In the crystal structure, the metal centers with terminally bonded thicyanate anions are bridged by the bipy ligands into layers parallel to (001). The diethyl ether solvent mol-ecules occupy the voids of the structure.

| S-EPMC3006735 | biostudies-literature

catena-Poly[[bis-(dimethyl-ammonium) [cadmate(II)-bis-(?-1,1':4',1''-terphenyl-3,3''-dicarboxyl-ato)]] dimethyl-formamide disolvate].

Project description:In the title compound, {(C(2)H(8)N)(2)[Cd(C(20)H(12)O(4))(2)]·2C(3)H(7)NO}(n), the Cd(II) ion lies on a twofold rotation axis and is in a distorted octa-hedral CdO(6) environment, defined by four O atoms of two ?(2)-coordinated 1,1':4',1''-terphenyl-3,3''-dicarboxyl-ate (DCT) ligands and two O atoms of two ?(1)-coordinated DCT ligands. Both types of DCT ligands act as bridging, forming a one-dimensional polymeric structure propagating parallel to [10].

| S-EPMC3050304 | biostudies-literature

Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxyl-ato-?O)bis-(3,5-dimethyl-1H-pyrazole-?N(2))manganese(II).

Project description:In the title compound, [Mn(C(19)H(11)F(2)O(2))(2)(C(5)H(8)N(2))(2)], the Mn(2+) cation is coordinated by the N atoms of two 3,5-dimethyl-pyrazole ligands and carboxyl-ate O atoms from two 4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxyl-ato ligands, forming an MnN(2)O(2) polyhedron with a slightly distorted tetra-hedral coordination geometry. Two intra-molecular hydrogen bonds are observed between the carboxyl-ate and pyrazole ligands. The combined influence of the sterically hindered carboxyl-ate ligands and the intra-molecular hydrogen-bonding inter-actions stabilizes the title compound with a low coordination number of four. In the crystal, weak C-H?F and C-H?O hydrogen bonds are observed.

| S-EPMC3344328 | biostudies-other

Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxyl-ato-?O)tetra-kis-(methanol-?O)calcium methanol tetra-solvate.

Project description:In the title compound, [Ca(C(19)H(11)F(2)O(2))(2)(CH(3)OH)(4)]·4CH(3)OH, the Ca(2+) ion is located on an inversion centre and is hexa-coordinated by two O atoms of two 4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxyl-ate ligands and four O atoms of four methanol ligands, forming a CaO(6) polyhedron with a slightly distorted octa-hedral coordination geometry. The Ca-O-C angle between the carboxyl-ate group and the calcium ion is 171.8?(2)°. Two types of inter-molecular hydrogen-bond inter-actions (C=O?H and O-H?O) between the carboxyl-ate ligand, the methanol solvent mol-ecules and the coordinating methanol ligands generate a two-dimensional network parallel to (001).

| S-EPMC3569211 | biostudies-other

1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)ethanone.

Project description:In the title compound, C(21)H(16)F(2)O(2), the central benzene ring is inclined at dihedral angles of 30.91?(8) and 46.88?(7)° to the two terminal fluoro-substituted rings. The dihedral angle between the two terminal fluoro-subsituted rings is 68.34?(8)°. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by weak C-H?? inter-actions.

| S-EPMC3254504 | biostudies-literature

Ethyl 4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-carboxyl-ate.

Project description:In the title compound, C(22)H(18)F(2)O(3), the two fluoro-substituted rings form dihedral angles of 25.89?(15) and 55.00?(12)° with the central benzene ring. The eth-oxy group in the mol-ecule is disordered over two positions with a site-occupancy ratio of 0.662?(7):0.338?(7). In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into chains along the a axis. The crystal packing is further stabilized by C-H?? and ?-? inter-actions, with centroid-centroid distances of 3.8605?(15)?Å.

| S-EPMC3254511 | biostudies-literature

Methyl 4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-carboxyl-ate.

Project description:In the title compound, C(21)H(16)F(2)O(3), the pendant fluoro-benzene rings form dihedral angles of 22.22 (12) and 50.74 (11)° with the central benzene ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into chains along the a axis. The crystal structure also features C-H⋯π inter-actions.

| S-EPMC3239031 | biostudies-literature

Di-μ-hydroxido-bis-[aqua-trichlorido-tin(IV)] diethyl ether disolvate.

Project description:The title compound, [Sn(2)Cl(6)(OH)(2)(H(2)O)(2)]·2C(4)H(10)O, consists of a centrosymmetric molecule and two additional solvent molecules and has an infinite two-dimensional network extending parallel to (101). The Sn atom is six-coordinate with a distorted octa-hedral geometry. Additional O-H⋯O hydrogen bonding leads to stabilization of the crystal structure.

| S-EPMC2959587 | biostudies-literature

(2E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-(2,6-difluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(28)H(18)F(4)O(2), the central benzene ring makes dihedral angles of 44.27 (6), 56.33 (5) and 77.27 (6)° with the two adjacent fluoro-benzene rings and terminal difluoro-substituted benzene ring, respectively. The dihedral angle between the fluoro-benzene rings is 87.81 (6)°. The meth-oxy and prop-2-en-1-one groups are essentially coplanar with their attached benzene rings, as indicated by their C-O-C(ar)-C(ar) [-0.06 (15)°] and C-C-C(ar)-C(ar) [4.5 (2)°] (ar = aromatic) torsion angles. In the crystal, mol-ecules are linked by C-H⋯F and C-H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal structure also features C-H⋯π inter-actions.

| S-EPMC3344658 | biostudies-literature

Tetra-aqua-diazido-cobalt(II) 4,4'-dicarboxyl-ato-1,1'-ethyl-enedi-pyridinium dihydrate.

Project description:In the title compound, [Co(N(3))(2)(H(2)O)(4)]·C(14)H(12)N(2)O(4)·2H(2)O, the metal complex mol-ecule is centrosymmetric, the Co(II) ion being six-coordinated by two azide N atoms and four aqua O atoms with a trans-octa-hedral geometry. The zwitterionic organic mol-ecule is also centrosymmetric. In the crystal, the components are associated into a two-dimensional network through O-H?O hydrogen bonds. Further O-H?O and O-H?N inter-actions give a three-dimensional structure. The free water molecule is disordered over two positions in a 0.787?(5):0.213?(5) ratio.

| S-EPMC2971761 | 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