Bis(1,10-phenanthroline-κ2N,N′)(sulfato-O)copper(II) propane-1,3-diol monosolvate

Kai-Long Zhong

doi:10.1107/s1600536812047721

Abstract

In the title compound, [Cu(SO4)(C12H8N2)2]·C3H8O2, the CuII 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 molecule forms two O—H⋯O hydrogen bonds to its adjacent complex molecule. 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.

Highlights

In the title compound, [Cu(SO4)(C12H8N2)2]ÁC3H8O2, the CuII ion is bonded to two chelating 1,10-phenanthroline 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 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
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6990)

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 223 K; mean (C–C) = 0.007 A; R factor = 0.036; wR factor = 0.094; data-to-parameter ratio = 11.4. In the title compound, [Cu(SO4)(C12H8N2)2]ÁC3H8O2, the CuII 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 solvent molecule forms two O—HÁ Á ÁO hydrogen bonds to its adjacent complex molecule. 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. Crystal data [Cu(SO4)(C12H8N2)2]ÁC3H8O2 Mr = 596.10 Monoclinic, Cc a = 17.523 (4) Ab = 12.562 (3) Ac = 13.438 (3) A = 123.44 (3)

Rigaku Mercury CCD diffractometer

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