2-Bromo-5-iodo-1,3-dimethylbenzene

被引:3
作者
Liu, Rui [1 ]
Wu, Wen-Yuan [1 ]
Li, Yu-Hao [1 ]
Deng, Shui-Ping [1 ]
Zhu, Hong-Jun [1 ]
机构
[1] Nanjing Univ Technol, Coll Sci, Dept Appl Chem, Nanjing 210009, Peoples R China
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2008年 / 64卷
关键词
D O I
10.1107/S1600536807065415
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the molecule of the title compound, C8H6BrI, the H atoms of methyl groups are disordered; site-occupation factors were fixed at 0.50. The non-H atoms all lie on a crystallographic mirror plane. Weak intramolecular C - H center dot center dot center dot Br hydrogen bonds result in the formation of two non-planar five-membered rings.
引用
收藏
页码:O280 / U5140
页数:9
相关论文
共 7 条
[1]   TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].
ALLEN, FH ;
KENNARD, O ;
WATSON, DG ;
BRAMMER, L ;
ORPEN, AG ;
TAYLOR, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19
[2]  
[Anonymous], 2000, SHELXTL
[3]  
*ENR NON, 1985, CAD 4 SOFTW VERS 5 0
[4]  
HARMS K, 1995, XCAD4
[5]   A SEMI-EMPIRICAL METHOD OF ABSORPTION CORRECTION [J].
NORTH, ACT ;
PHILLIPS, DC ;
MATHEWS, FS .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :351-&
[6]  
Sheldrick G. M., 1997, SHELXS 97 PROGRAM CR, P38
[7]   Single-crystal structure validation with the program PLATON [J].
Spek, AL .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2003, 36 :7-13