Received 25 April 2013
aDepartment of Physics, S. R. R. Engineering College (A. Jeppiaar Institution), Old Mamallapuram Road, Padur, Chennai 603 103, India,bDepartment of Chemistry, Pondicherry University, Pondicherry 605 014, India, and cDepartment of Physics, Presidency College (Autonomous), Chennai 600 005, India
Correspondence e-mail: firstname.lastname@example.org
The title molecule, [CoCl2(C5H5N)2(H2O)2], has -1 symmetry with the CoII ion situated on an inversion centre. The cation has a distorted octahedral coordination environment and is surrounded by two N and two Cl atoms in the equatorial plane, while the coordinating water O atoms occupy the axial positions. The crystal exhibits nonmerohedral twinning with two domain states, the volume fractions of which were refined to 0.883 (2) and 0.117 (3). The crystal packing is stabilized by O-HCl hydrogen-bond interactions, forming two-dimensional networks lying parallel to (001). The crystal packing also features - interactions between the pyridine rings, with centroid-centroid separations of 3.493 (3) and 3.545 (3) Å.
For biological activity and potential applications of mixed-ligand cobalt complexes, see: Arslan et al. (2009) (antimicrobial activity); Delehanty et al. (2008) (antiviral activity); Sayed et al. (1992) (antitumor activity); Teicher et al. (1990) (antitumor and cytotoxic activities); Milaeva et al. (2013) (biochemical properties of CoII). For related structures, see: Li et al. (2009); Zhu & Zhou (2008). For graph-set motifs, see: Etter et al. (1990).
Data collection: CrysAlis CCD (Oxford Diffraction, 2009); cell refinement: CrysAlis RED (Oxford Diffraction, 2009); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2009) and TwinRotMat (Bolte, 2004).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FB2288 ).
ASP and PSK are thankful to the Department of Chemistry, Pondicherry University, for the single-crystal XRD facility. KA is thankful to CSIR, New Delhi (Lr: No. 01 (2570)/12/EMR-II/3.4.2012), for financial support of a major research project.
Arslan, H., Duran, N., Borekci, G., Ozer, C. K. & Akbay, C. (2009). Molecules, 14, 519-527.
Bolte, M. (2004). J. Appl. Cryst. 37, 162-165.
Delehanty, J. B., Bongard, J. E., Thach, C. D., Knight, D. A., Hickeya, T. E. & Chang, E. L. (2008). Bioorg. Med. Chem. 16, 830-837.
Etter, M. C., MacDonald, J. C. & Bernstein, J. (1990). Acta Cryst. B46, 256-262.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.
Li, N., Zou, H.-L., Song, X.-Y., Liu, Y.-C. & Chen, Z.-F. (2009). Acta Cryst. E65, m1666.
Milaeva, E. R., Shpakovsky, D. B., Gracheva, Y. A., Orlova, S. I., Maduar, V. V., Tarasevich, B. N., Meleshonkova, N. N., Dubova, L. G. & Shevtsova, E. F. (2013). Dalton Trans. 42, 6817-6828.
Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.
Sayed, G. H., Radwan, A., Mohamed, S. M., Shiba, S. A. & Kalil, M. (1992). Chin. J. Chem. 10, 475-480.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Teicher, B. A., Abrams, M. J., Rosbe, K. W. & Herman, T. S. (1990). Cancer Res. 50, 6971-6975.
Zhu, W.-F. & Zhou, X.-F. (2008). Acta Cryst. E64, m1478.