5,8-二溴-15-硝基-2,11-二硫杂-[3.3]对环环烷
5,8-Dibromo-15-nitro-2,11-dithia-[3.3]paracyclo-phane.
作者信息
Hu Fang, Chen Zhi-Ming
机构信息
Key Laboratory of Pesticide and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3368. doi: 10.1107/S1600536811048434. Epub 2011 Nov 19.
IN THE TITLE COMPOUND [SYSTEMATIC NAME: 13,15-dibromo-6-nitro-3,10-dithia-tricyclo-[10.2.2.2(5,8)]octa-deca-1(14),5,7,12,15,17-hexa-ene], C(16)H(13)Br(2)NO(2)S(2), the dihedral angle between the two benzene rings is 0.93 (2)°. The crystal structure is stabilized by weak π-π inter-molecular inter-actions [centroid-centroid distance = 3.286 (5) Å]. One S atom and the H atoms on neighboring C atoms are disordered over two sets of sites (occupancy ratios: S = 0.91:0.09 and H = 0.93:0.07).
在标题化合物[系统名称：13,15-二溴-6-硝基-3,10-二硫杂三环-[10.2.2.2(5,8)]十四碳-1(14),5,7,12,15,17-六烯]，C(16)H(13)Br(2)NO(2)S(2)中，两个苯环之间的二面角为0.93 (2)°。晶体结构通过弱π-π分子间相互作用[质心-质心距离 = 3.286 (5) Å]得以稳定。一个S原子以及相邻C原子上的H原子在两组位置上无序分布（占有率：S = 0.91:0.09，H = 0.93:0.07）。
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