Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(1,10-phenanthroline-?(2) N,N')(sulfato-O)copper(II) propane-1,3-diol monosolvate.

ABSTRACT: In the title compound, [Cu(SO4)(C12H8N2)2]·C3H8O2, the Cu(II) ion is bonded to two chelating 1,10-phenanthroline (phen) ligands and one O atom from a monodentate sulfate ligand in a distorted square-based pyramidal arrangement, with the O atom in a basal site. The two chelating N2C2 groups subtend a dihedral angle of 71.10?(15)°. In the crystal, the solvent mol-ecule forms two O-H?O hydrogen bonds to its adjacent complex mol-ecule. The chosen crystal was found to be a racemic twin; the presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model and high R and wR values.

SUBMITTER: Zhong KL

PROVIDER: S-EPMC3588794 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(1,10-phenanthroline-κ(2) N,N')(sulfato-O)copper(II) propane-1,3-diol monosolvate.

Zhong Kai-Long KL

Acta crystallographica. Section E, Structure reports online 20121128 Pt 12

In the title compound, [Cu(SO4)(C12H8N2)2]·C3H8O2, the Cu(II) ion is bonded to two chelating 1,10-phenanthroline (phen) ligands and one O atom from a monodentate sulfate ligand in a distorted square-based pyramidal arrangement, with the O atom in a basal site. The two chelating N2C2 groups subtend a dihedral angle of 71.10 (15)°. In the crystal, the solvent mol-ecule forms two O-H⋯O hydrogen bonds to its adjacent complex mol-ecule. The chosen crystal was found to be a racemic twin; the presence ...[more]

PMID: 23468759

Similar Datasets

Bis(1,10-phenanthroline-?(2) N,N')(sulfato-?O)zinc(II) propane-1,2-diol monosolvate.

Project description:In the title compound, [Zn(SO4)(C12H8N2)2]·C3H8O2, the Zn(II) ion is in a distorted square-pyramidal coordination environment composed of four N atoms from two chelating 1,10-phenanthroline ligands and one O atom from a monodentate sulfate ligand. The Zn(II) ion lies on a twofold rotation axis. The sulfate ligand and propane-1,2-diol mol-ecules are disordered across the twofold rotation axis. The dihedral angle between the two chelating N2C2 groups is 83.26?(13)°. In the crystal, the complex mol-ecule and the propane-1,2-diol mol-ecule are connected through a pair of O-H?O hydrogen bonds.

| S-EPMC3790364 | biostudies-literature

Bis(1,10-phenanthroline-κN,N')(sulfato-O)copper(II) ethane-1,2-diol monosolvate.

Project description:In the title compound, [Cu(SO(4))(C(12)H(8)N(2))(2)]·C(2)H(6)O(2), the Cu(II) ion is five-coordinated in a distorted square-pyramidal manner by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and one O atom from a monodentate sulfate anion. The four N atoms comprise a square and the one O atom the apex of a square pyramid. The two chelating N(2)C(2) groups are oriented at 71.1 (2)°. In the crystal, the components are connected by inter-molecular O-H⋯O hydrogen bonding. The presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model.

| S-EPMC3200916 | biostudies-literature

Bis(1,10-phenanthroline-?N,N')(sulfato-?O,O')zinc(II) propane-1,3-diol solvate.

Project description:In the title compound, [Zn(SO(4))(C(12)H(8)N(2))(2)]·C(3)H(8)O(2), the Zn(2+) ion (site symmetry 2) is coordinated by two chelating 1,10-phenanthroline ligands and an O,O'-bidentate sulfate ion (S site symmetry 2), resulting in a distorted cis-ZnO(2)N(4) octa-hedral geometry for the metal ion. The complete propane-1,3-diol mol-ecule is generated by crystallographic twofold symmetry and two O-H?O hydrogen bonds are formed with the uncoordinated O atoms of the sulfate group.

| S-EPMC2979185 | biostudies-literature

Bis(1,10-phenanthroline-?N,N')(sulfato-?O,O')cobalt(II) propane-1,3-diol solvate.

Project description:The title compound, [Co(SO(4))(C(12)H(8)N(2))(2)]·C(3)H(8)O(2), was obtained unexpectedly as a by-product during an attempt to synthesize a mixed-ligand complex of Co(II) with 1,10-phenanthroline (phen) and melamine via a solvothermal reaction. The Co(II) metal ions are in a distorted octa-hedral coordination environment formed by four N atoms from two chelating phen ligands and two O atoms from a bidentate sulfate ligand. The two chelating N(2)C(2) groups are almost perpendicular to each other [dihedral angle = 80.06?(8)°]. A twofold rotation axis passes through the Co and S atoms, and also through the central C atom of the propane-1,3-diol solvent mol-ecule. Inter-molecular O-H?O hydrogen bonds help to stabilize the structure.

| S-EPMC2983626 | biostudies-literature

Bis(1,10-phenanthroline-?(2) N,N')(sulfato-?(2) O,O')cobalt(II) propane-1,2-diol monosolvate.

Project description:In the title compound, [Co(SO4)(C12H8N2)2]·C3H8O2, the Co(II) atom (site symmetry 2) has a distorted octa-hedral coordination composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O'-bidentate sulfate ligand, in which the S atom has site symmetry 2. The dihedral angle between the two chelating N2C2 groups is 84.46?(15)°. The complex and solvent mol-ecules are connected through O-H?O hydrogen bonds. The solvent mol-ecule is equally disordered over two positions and is also located on a twofold axis.

| S-EPMC3588351 | biostudies-literature

Bis(1,10-phenanthroline-?N,N')(sulfato-?O,O')cobalt(II) butane-2,3-diol monosolvate.

Project description:In the title compound, [Co(SO(4))(C(12)H(8)N(2))(2)]·C(4)H(10)O(2), the Co(2+) ion has a distorted octa-hedral coordination environment composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O'-bidentate sulfate anion. The dihedral angle between the two chelating N(2)C(2) groups is 83.48?(1)°. The Co(2+) ion, the S atom and the mid-point of the central C-C bond of the butane-2,3-diol solvent mol-ecule are situated on twofold rotation axes. The mol-ecules of the complex and the solvent mol-ecules are held together by pairs of symmetry-related O-H?O hydrogen bonds with the uncoordinated O atoms of the sulfate ions as acceptors. The solvent mol-ecule is disordered over two sets of sites with site occupancies of 0.40 and 0.60.

| S-EPMC3100011 | biostudies-literature

Bis(1,10-phenanthroline-?(2) N,N')(sulfato-?O)copper(II) ethanol monosolvate.

Project description:The crystal structure of the title compound, [Cu(SO4)(C12H8N2)2]·C2H5OH, arises from the assembly of the neutral complex [Cu(SO4)(C12H8N2)2] and an ethanol solvent mol-ecule. The Cu(II) ion is five-coordinate, surrounded by two pairs of N atoms from two independent N,N'-chelating 1,10-phenanthroline ligands, and one O atom of monodentate sulfate ligand, in a distorted trigonal-bipyramidal fashion. Spatial orientation of the ligands and the assembly in the solid state are stabilized by the C-H?O hydrogen-bonding inter-actions, established between the O atoms (from the sulfate ligand and the ethanol mol-ecule) and the neighbouring 1,10-phenanthroline mol-ecules. There is also an offset face-to-face ?-? stacking between the 1,10-phenanthroline ligands. The ethanol solvent mol-ecule is disordered over two orientations in the ratio 0.663?(10):0.337?(10). The crystal examined was subject to racemic twinning and the refined twin fraction was 0.346?(19).

| S-EPMC3790369 | biostudies-literature

Bis(1,10-phenanthroline-?N,N')(sulfato-?O,O')nickel(II) propane-1,3-diol solvate.

Project description:In the structure of the title compound, [Ni(SO(4))(C(12)H(8)N(2))(2)]·C(3)H(8)O(2), the Ni(II) ion (site symmetry 2) is six-coordinated in a distorted octa-hedral manner by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and two O atoms from a bidentate sulfate ligand (2 symmetry). The dihedral angle between the two chelating NCCN groups is 80.9?(1)°. The central C atom of the propane-1,3-diol solvent mol-ecule is likewise located on a twofold rotation axis. In the crystal structure, the [Ni(SO(4))(C(12)H(8)N(2))(2)] and C(3)H(8)O(2) entities are connected through inter-molecular O-H?O hydrogen bonding.

| S-EPMC3006809 | biostudies-other

Bis(1,10-phenanthroline-?N,N')(sulfato-?O,O')cadmium(II) propane-1,3-diol solvate.

Project description:In the title compound, [Cd(SO(4))(C(12)H(8)N(2))(2)]·C(3)H(8)O(2), the Cd(II) atom has a distorted octa-hedral coordination composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O'-bidentate sulfate group. The two chelating NCCN groups subtend a dihedral angle of 82.21?(9)°. The Cd(II) ion, the S atom and the middle C atom of the propane-1,3-diol solvent mol-ecule are located on special positions, site symmetry 2. The solvate features a pair of O-H?O hydrogen bonds with the uncoordinated O atoms of the sulfate ion. The OH group of the propane-1,3-diol solvent is disordered over two positions of equal occupancy.

| S-EPMC3006862 | biostudies-other

Bis(1,10-phenanthroline-?(2) N,N')(sulfato-O)copper(II) butane-2,3-diol monosolvate.

Project description:The title compound, [Cu(SO4)(C12H8N2)2]·C4H10O2, is comprised of neutral monomeric complex and butane-2,3-diol solvent mol-ecules. In the complex, the Cu(II) ion is in a distorted square-pyramidal coordination environment defined by four N atoms from two chelating 1,10-phenanthroline ligands and one O atom from a monodentate sulfate anion; the O atom is at the apex. The two chelating N2C2 groups subtend a dihedral angle of 85.8?(4)°. In the crystal, the neutral monomeric complex and butane-2,3-diol solvent mol-ecules are held together by O-H?O hydrogen bonding, which leads to additional stabilization of the structure. The presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model and high R and wR values. The sulfate anion is disordered over two sets of sites with occupancies of 0.55?(1) and 0.45?(1).

| S-EPMC3588286 | biostudies-other

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