Abstract
Crystals of the title compound are monoclinic, P21/c, a=11.464(14),b=21.027(9),c=12.806(3) A,β=108.00(6)°,V=2935.85 A3,Z=8. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by full matrix least squares to a finalR value of 0.089 using 3949 reflections. The two nonequivalent molecules are both disordered to the same extent, the ratio of the two models being 0.8∶0.2. In the minor model the substituent hydrogen atom at the 2-position is exactly eclipsed by a chlorine atom in the 2-CCl3 group whereas in the major model the normal staggered conformation is observed. C-Cl bond lengths and C-C-Cl angles in the major model are normal whereas those in the minor model are C-Cl(A) 1.51(3), C-Cl(B) 1.67(3), C-Cl(C) 1.95(3) A, where Cl(C) is eclipsed, for one molecule and 1.85(3), 1.67(3), 1.94(2) A for the other. Corresponding C-C-Cl bond angles (deg) are 115(1), 114(1), 80(1); and 120(1), 126(1), 90(1). A comparison is given with a structure which is not disordered but in which similar changes in the geometry of a∶CCl.CCl3 group are found.
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