The Crystal and Molecular Structure of <I>cis</I>-2,2-Diphenyl-3,4-dichlorothietane

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概要

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• The crystal structure of <I>cis</I>-2,2-diphenyl-3,4-dichlorothietane has been determined from three-dimensional X-ray data collected by the photographic method. The compound forms monoclinic crystals with <I>a</I>=9.94(1), <I>b</I>=12.56(1), <I>c</I>=12.96(1) Å, β=120.66(8)°, and <I>Z</I>=4 in the space group of P2<SUB>1</SUB>⁄<I>c</I>. The structure has been refined by the block-diagonal least-squares method to a final <I>R</I> value of 0.10, based on 1578 observed reflections. The conformation of the C–Cl bonds with respect to the thietane ring is (3e4a), consistent with that in solution derived from the dipole moments. The thietane skeleton of the compound is puckered, with a dihedral angle of 151.1°. The two C–S distances are 1.81 Å and 1.89 Å, and the average distance between the C–Cl bonds is 1.785 Å. The C–S and C–Cl bond characters are discussed in terms of the CNDO/2 method. The intermolecular S···S contact of 3.32 Å is remarkably short; it may be explained as a consequence of an attractive interaction between the dipole moments of the molecules.

• 公益社団法人 日本化学会の論文

著者

• Kumakura Shigekazu

  Department Of Chemistry Faculty Of Science Saitama University

• Kodama Toshiko

  Department of Chemistry, Saitama University

関連論文

• First Synthesis of Selenophene 1, 1-Dioxides
• The Crystal and Molecular Structure of cis-2,2-Diphenyl-3,4-dichlorothietane
• The Dipole Moment of Halogenobenzotropones
• The crystal and molecular structure of 3,4-dichloronitrobenzene.

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