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Volume 70 
Part 1 
Pages m11-m12  
January 2014  

Received 9 October 2013
Accepted 29 November 2013
Online 11 December 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.013 Å
R = 0.039
wR = 0.094
Data-to-parameter ratio = 16.6
Details
Open access

An acetonitrile solvatomorph of di­chlorido­(1,10-phenanthroline-5,6-dione)platinum(II)

aDepartment of Chemistry and Biochemistry, 1001 E. University Ave., Georgetown, Texas 78626, USA, and bDepartment of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712, USA
Correspondence e-mail: rawji@southwestern.edu

In the title complex, [PtCl2(C12H6N2O2)]·CH3CN, the PtII atom lies in a slightly distorted square-planar arrangement defined by an N2Cl2 donor set. In the packed structure, columns of complex moieties are stacked such that the neighboring units are oriented at 180° and laterally displaced with respect to each other. This prevents any overlap of the phenanthroline rings and thus there is no possibility of any [pi]-[pi] inter­actions between aromatic rings.

Related literature

For condensation of the free and complexed phendione ligand with primary amines, see: Dickerson & Summers (1970[Dickerson, J. E. & Summers, L. A. (1970). Aust. J. Chem. 23, 1023-1027.]); MacDonnell & Bodige (1996[MacDonnell, F. M. & Bodige, S. (1996). Inorg. Chem. 35, 5758-5759.]); Moucheron et al. (1997[Moucheron, C., Kirsch-De Mesmaeker, A. & Choua, S. (1997). Inorg. Chem. 36, 584-592.]); Westerlund et al. (2005[Westerlund, F., Pierard, F., Eng, M. P., Nordén, B. & Lincoln, P. J. (2005). J. Phys. Chem. B, 109, 17327-17332.]); Williams et al. (2012[Williams, B. R., Dalton, S. R., Skiba, M., Kim, S. E., Shatz, A., Carroll, P. J. & Burgmayer, S. J. N. (2012). Inorg. Chem. 51, 12669-12681.]). For use of the ligand in the construction of multinuclear homo- and heterometallic complexes as well as dendritic polynuclear metal structures, see: Fox et al. (1991[Fox, G. A., Bhattacharya, S. & Pierpoint, C. G. (1991). Inorg. Chem. 30, 2895-2899.]); MacDonnell & Bodige (1996[MacDonnell, F. M. & Bodige, S. (1996). Inorg. Chem. 35, 5758-5759.]); Paw & Eisenberg (1997[Paw, W. & Eisenberg, R. (1997). Inorg. Chem. 36, 2287-2293.]); Calderazzo et al. (1999[Calderazzo, F., Marchetti, F., Pamponi, G. & Passarelli, V. (1999). J. Chem. Soc. Dalton Trans. pp. 4389-4396.]); Campagna et al. (1999[Campagna, S., Serroni, S., Bodige, S. & MacDonell, F. M. (1999). Inorg. Chem. 38, 692-701.]); Calucci et al. (2006[Calucci, L., Pampaloni, G., Pinzino, C. & Prescimone, A. (2006). Inorg. Chim. Acta, 359, 3911-3920.]). For anti­microbial activity of the free ligand and the title complex, see: Roy et al. (2008[Roy, S., Hagen, K. D., Maheswari, P. U., Lutz, M., Spek, A. L., Reedjk, J. & van Wezel, G. P. (2008). ChemMedChem, 3, 1427-1434.]). For previous structural studies related to the title complex, see: Granger et al. (2005[Granger, R. M., Davies, R., Wilson, K. A., Kennedy, E., Vogler, B., Nguyen, Y., Mowles, E., Blackwood, R., Ciric, A. & White, P. S. (2005). J. Undergrad. Chem. Res. 2, 47-56.]); Okamura et al. (2006[Okamura, R., Fujihara, T., Wada, T. & Tanaka, K. (2006). Bull. Chem. Soc. Jpn, 79, 106-112.]); Roy et al. (2008[Roy, S., Hagen, K. D., Maheswari, P. U., Lutz, M., Spek, A. L., Reedjk, J. & van Wezel, G. P. (2008). ChemMedChem, 3, 1427-1434.]). For synthesis of Pt(DMSO)2Cl2, see: Romeo & Scolaro (1998[Romeo, R. & Scolaro, L. M. (1998). Inorg. Synth. 32, 153-155.]).

[Scheme 1]

Experimental

Crystal data
  • [PtCl2(C12H6N2O2)]·C2H3N

  • Mr = 517.23

  • Monoclinic, P 21 /c

  • a = 6.7285 (2) Å

  • b = 22.6380 (6) Å

  • c = 9.7561 (3) Å

  • [beta] = 98.0740 (17)°

  • V = 1471.32 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 9.91 mm-1

  • T = 298 K

  • 0.40 × 0.06 × 0.05 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: gaussian (XPREP in SHELXL/PC; Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) Tmin = 0.174, Tmax = 0.629

  • 11801 measured reflections

  • 3345 independent reflections

  • 2837 reflections with I > 2[sigma](I)

  • Rint = 0.081

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.094

  • S = 1.16

  • 3345 reflections

  • 201 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.48 e Å-3

  • [Delta][rho]min = -1.30 e Å-3

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: COLLECT; data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997)[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, 276 Macromolecular Crystallography, part A, edited by C. W. Carter, Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]; program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XP in SHELXTL/PC (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: MW2118 ).


Acknowledgements

This work was supported in part by The Robert A. Welch Foundation of Houston, Texas (grant No. AF-0005).

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Calderazzo, F., Marchetti, F., Pamponi, G. & Passarelli, V. (1999). J. Chem. Soc. Dalton Trans. pp. 4389-4396.  [CSD] [CrossRef]
Calucci, L., Pampaloni, G., Pinzino, C. & Prescimone, A. (2006). Inorg. Chim. Acta, 359, 3911-3920.  [Web of Science] [CrossRef] [ChemPort]
Campagna, S., Serroni, S., Bodige, S. & MacDonell, F. M. (1999). Inorg. Chem. 38, 692-701.  [Web of Science] [CrossRef] [PubMed] [ChemPort]
Dickerson, J. E. & Summers, L. A. (1970). Aust. J. Chem. 23, 1023-1027.
Fox, G. A., Bhattacharya, S. & Pierpoint, C. G. (1991). Inorg. Chem. 30, 2895-2899.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Granger, R. M., Davies, R., Wilson, K. A., Kennedy, E., Vogler, B., Nguyen, Y., Mowles, E., Blackwood, R., Ciric, A. & White, P. S. (2005). J. Undergrad. Chem. Res. 2, 47-56.
MacDonnell, F. M. & Bodige, S. (1996). Inorg. Chem. 35, 5758-5759.  [CrossRef] [ChemPort] [Web of Science]
Moucheron, C., Kirsch-De Mesmaeker, A. & Choua, S. (1997). Inorg. Chem. 36, 584-592.  [CrossRef] [ChemPort] [Web of Science]
Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Okamura, R., Fujihara, T., Wada, T. & Tanaka, K. (2006). Bull. Chem. Soc. Jpn, 79, 106-112.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, 276 Macromolecular Crystallography, part A, edited by C. W. Carter, Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Paw, W. & Eisenberg, R. (1997). Inorg. Chem. 36, 2287-2293.  [CSD] [CrossRef] [PubMed] [ChemPort] [Web of Science]
Romeo, R. & Scolaro, L. M. (1998). Inorg. Synth. 32, 153-155.  [CrossRef] [ChemPort]
Roy, S., Hagen, K. D., Maheswari, P. U., Lutz, M., Spek, A. L., Reedjk, J. & van Wezel, G. P. (2008). ChemMedChem, 3, 1427-1434.  [CSD] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westerlund, F., Pierard, F., Eng, M. P., Nordén, B. & Lincoln, P. J. (2005). J. Phys. Chem. B, 109, 17327-17332.  [CrossRef] [PubMed] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Williams, B. R., Dalton, S. R., Skiba, M., Kim, S. E., Shatz, A., Carroll, P. J. & Burgmayer, S. J. N. (2012). Inorg. Chem. 51, 12669-12681.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2014). E70, m11-m12   [ doi:10.1107/S160053681303256X ]

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