organic compounds
Methyl H atoms were located from difference Fourier syntheses
Ê
and re®ned as part of a rigid rotating group, with CÐH = 0.96 A and
Carugo, O., Djinovic, K., Rizzi, M. & Castellani, B. (1991). J. Chem. Soc.
Dalton Trans. pp. 1255±1258.
Castellani, C. B. & Millini, R. (1984). J. Chem. Soc. Dalton Trans. pp. 1461±
1462.
Doslci, N., Stare, J. & Mavri, J. (2001). Chem. Phys. 269, 59±73.
Ï Â
Enchev, V., Ivanova, G., Ugrinov, A. & Neykov, G. D. (1999). J. Mol. Struct.
Uiso(H) = 1.5Ueq(C). Other H atoms were placed geometrically and
re®ned using a riding model, with Csp ÐH = 0.93 A and Uiso(H) =
2
Ê
1.2Ueq(C).
5
08, 149±161.
Data collection: X-AREA (Stoe & Cie, 2002); cell re®nement:
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s)
used to solve structure: SHELXS97 (Sheldrick, 1997); program(s)
used to re®ne structure: SHELXL97 (Sheldrick, 1997); molecular
graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to
prepare material for publication: WinGX (Farrugia, 1999).
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837±838.
Fischer, A., Golding, R. M. & Tennant, W. C. (1965). J. Chem. Soc. pp. 6032±
6035.
Ivanova, G. & Enchev, V. (2001). Chem. Phys. 264, 235±244.
Kasumov, V. T., Kartal, I. & Koksal, F. (2000). Spectrochim. Acta A, 56, 841±
8
50.
Kr zÏ an, A., Crist, D. R. & Hor a k, V. J. (2000). Mol. Struct. (Theochem), 528,
37±244.
2
Kr zÏ an, A. & Mavri, J. (2002). Chem. Phys. 277, 71±76.
Supplementary data for this paper are available from the IUCr electronic
archives (Reference: BM1603). Services for accessing these data are
described at the back of the journal.
Mavri, J. & Grdadolnik, J. (2001a). J. Phys. Chem. A, 105, 2039±2044.
Mavri, J. & Grdadolnik, J. (2001b). J. Phys. Chem. A, 105, 2045±2051.
Rospenk, M., Sobczyk, L., Schah-Mohammedi, P., Limbach, H.-H., Golubev,
N. S. & Melikova, S. M. (2001). Magn. Reson. Chem. 39, S81±S90.
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of
G oÈ ttingen, Germany.
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