（1Z，3Z）-1,4-二苯基-1,4-双（对甲苯基甲基硫基）-1,3-丁二烯

(1Z,3Z)-1,4-diphenyl-1,4-bis(p-tolylmethylthio)-1,3-butadiene.

作者信息

Freeman F, Lu H, Ziller J W, Rodriguez E

机构信息

Department of Chemistry, University of California, Irvine 92717, USA.

出版信息

Acta Crystallogr C. 1995 Apr 15;51 ( Pt 4):659-61. doi: 10.1107/s0108270194007845.

DOI:10.1107/s0108270194007845

PMID:7619338

Abstract

The crystal structure of (1Z,3Z)-1,4-diphenyl-1,4-bis-(p-tolylmethylthio)-1,3-b utadiene (1), C32H30S2, is described. Compound (1) has an s-trans conformation. The single bond length, C(2)--C(2'), in compound (1) of 1.432 (5) A is shorter than the C(3)--C(4) single bond (1.48 A) in 1,3-butadiene and the double-bond length, C(1)--C(2), of 1.350 (3) A in compound (1) is comparable to that in 1,3-butadiene (1.34 A). The short C--C single and double bonds in (1) may be attributed to delocalization (resonance) over the planar four-atom unit, hybridization changes, the presence of the S atoms, and/or other factors.

摘要

描述了(1Z,3Z)-1,4-二苯基-1,4-双-(对甲苯基甲基硫基)-1,3-丁二烯(1)，即C32H30S2的晶体结构。化合物(1)具有反式构象。化合物(1)中C(2)-C(2')的单键长度为1.432(5)Å，比1,3-丁二烯中的C(3)-C(4)单键(1.48Å)短，化合物(1)中C(1)-C(2)的双键长度为1.350(3)Å，与1,3-丁二烯中的双键长度(1.34Å)相当。(1)中较短的C-C单键和双键可能归因于平面四原子单元上的离域(共振)、杂化变化、S原子的存在和/或其他因素。