Crystal structure of bis(2-butyl-4-chloro-imidazole)-5-iminoethane

被引：4
|
作者：
Yathirajan, HS
Raju, CR
Rai, KML
Jailakshmi, K
Nagaraja, P
Palani, K
Ponnuswamy, MN
Nethaji, M
机构：
[1] Univ Madras, Dept Crystallog & Biophys, Madras 600025, Tamil Nadu, India
[2] Univ Mysore, Dept Studies Chem, Mysore 570006, Karnataka, India
[3] Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2005年 / 35卷 / 03期
关键词：
imidazole; crystal structure; conformation; hydrogen bonding;
D O I：
10.1007/s10870-005-2959-0
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound (C18H26N6Cl2) crystallizes in monoclinic space group P2(1)/c with a = 14.867(4) angstrom, b = 7.758(2) angstrom, c = 9.671(3) angstrom, beta = 108.78(1)degrees, V = 1056.0(5) angstrom(3), Z = 2, D-cal = 1.250 Mg/m(3) at T = 293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final R = 0.0650 and wR = 0.1719 using 2493 reflections. The imidazole ring is planar and the n-butyl chain adopts an extended conformation. The molecules in the crystal are stabilized by N-H center dot center dot center dot N type of intermolecular hydrogen bondings in addition to van der Waals forces.
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收藏
页码：211 / 215
页数：5
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