Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 5 (May 2009)

organic compounds

Acta Cryst. (2009). C65, o222-o225 [ doi:10.1107/S0108270109007331 ]

Apparent shortening of the Csp³-Csp³ bond analysed via a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)

S. K. Nayak, S. Chandrasekhar and T. N. Guru Row

Abstract: Crystal structure determination at room temperature [292 (2) K] of racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate), C₂₆H₂₂O₆, showed that one of the terminal carbon-carbon bond lengths is very short [Csp³-Csp³ = 1.327 (6) Å]. The reason for such a short bond length has been analysed by collecting data sets on the same crystal at 393, 150 and 90 K. The values of the corrected bond lengths clearly suggest that the shortening is mainly due to positional disorder at two sites, with minor perturbations arising as a result of thermal vibrations. The positional disorder has been resolved in the analysis of the 90 K data following the changes in the unit-cell parameters for the data sets at 150 and 90 K, which appear to be an artifact of a near centre of symmetry relationship between the two independent molecules in the space group P $\overline{1}$ at these temperatures. Indeed, the unit cell at low temperature (150 and 90 K) is a supercell of the room-temperature unit cell.

Formula: C₂₆H₂₂O₆


	Structure factor file (CIF format) (200.5 kbytes) [ doi:10.1107/S0108270109007331/fg3073292Ksup2.hkl ] Contains datablock 292K

	Structure factor file (CIF format) (221.0 kbytes) [ doi:10.1107/S0108270109007331/fg3073393Ksup4.hkl ] Contains datablock 393K

	Structure factor file (CIF format) (417.1 kbytes) [ doi:10.1107/S0108270109007331/fg3073150Ksup3.hkl ] Contains datablock 150K

	Structure factor file (CIF format) (421.4 kbytes) [ doi:10.1107/S0108270109007331/fg307390Ksup5.hkl ] Contains datablock 90K

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