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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 |

REPOSITORIES: biostudies-literature

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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

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