I. Alswaidan, A. El-Azab, A. Alanazi
Jan 5, 2014
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Influential Citations
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Journal
Journal of Chemistry
Abstract
The crystal structure of (4R)-(−)-1-(2,4,6-trimethylbenzenesulfonyl)-3-n-butyryl-4-tert-butyl-2-imidazolidinone (3) was determined by single-crystal X-ray diffraction. Compound 3 crystallizes in triclinic system in space group P1 (≠ 1). The crystal data are A, A, A, , , , A3, , g/cm3, cm−1, , °C, and . The crystal structure confirmed the occurrence of three molecules of 3A, 3B, and 3C in which the n-butyryl moiety adopted the s-transoid conformation. Crystal structure also revealed that the conformation of 2,4,6-trimethylbenzenesulfonyl groups was in anti-position relative to tert-butyl group. The crystal packing showed that three molecules of compound 3 are stacked as a result of intermolecular π-π interactions between the phenyl ring of one molecule and the phenyl ring of the other molecule by approaching each other to an interplanar separation of 5.034 A. Interestingly, these stacked molecules are also connected by intermolecular CH-π interaction. The conformational analysis of the s-transoid 3A, 3B, and 3C was separately performed by molecular mechanic MM