Abstract
Abstract Cholesteryl chloride and the isomorphous cholesteryl bromide crystallize in the monoclinic space group P21 with two molecules in the unit cell. The cell dimensions are a=10.82, b=7.61, c=21.46 ± 0.02 A, β=131.° ± 1° for the chloride and a=11.10. b=7.56, c=21.83 δ 0.02 A, β=133.9 ± 1° for the bromide. The crystal structure has been solved by the heavy atom method and refined by least-squares procedure using visually estimated photographic data. The terminal group of atoms C(25), C(26) and C(27) are disordered. The rings A and C in the molecule assume slightly distorted chair conformations. Ring B has a 8β, 9α halfchair conformation and ring D has a 13β, 14α halfchair conformation. The ring junctions B-C and C-D are trans whereas the junction A-B is quasi trans. The chain at C(17) is in a fully extended configuration. The crystal packing is smectic-like, with the molecules arranged in distinct layers. The neighboring molecules in a layer are oriented antiparallel to each other. The unit cells of th...
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