5,8-Dibromo-15-cyano-2,11-dithia[3.3]paracyclophane

被引：0
|
作者：
Zhang, Hua [1 ]
Liu, Wenju [1 ]
机构：
[1] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
关键词：
data-to-parameter ratio = 16.2; disorder in main residue; mean σ(C-C) = 0.007 Å; R factor = 0.059; single-crystal X-ray study; T = 298 K; wR factor = 0.152;
D O I：
10.1107/S1600536811048458
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound [systematic name: 13,15-dibromo-3,10-dithiatricyclo[10.2.2.2(5,8)] octadeca-1(14), 5,7,12,15,17-hexaene-6- carbonitrile], C17H13Br2NS2, the mean planes of the benzene rings are almost parallel, making a dihedral angle of 1.1 (2)degrees, and the distance between the ring centroids is 3.294 (3) angstrom, which is shorter than the normal packing distance of aromatic rings (about 3.4 angstrom), indicating a strong pi-pi interaction. The S atom of one bridging chain is disorderd over two positions with site occupancies of 0.605 (4) and 0.395 (4) for the major and minor components, respectively.
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页码：O3413 / U1961
页数：9
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