Crystal and molecular structure analysis of 7-chloro-5-cyclopropyl-9-methyl-10-(2-nitro-4-trifluromethyl-phenyl)-5,10-dihydro-4,5,6,10-tetraaza-dibenzo [a, d]cyclohepten-11-one

被引：1
|
作者：
Thimmegowda, N. R. [1 ]
Sarala, G. [1 ]
Kumar, C. S. Ananda
Chandrappa, S.
Prasad, S. B. Benaka
Sridhar, M. A. [2 ]
Prasad, J. Shashidhara [2 ]
Rangappa, K. S. [1 ]
机构：
[1] Univ Mysore, Dept Studies Chem, Mysore 570006, Karnataka, India
[2] Univ Mysore, Dept Studies Phys, Mysore 570006, Karnataka, India
来源：
MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2008年 / 482卷
关键词：
crystal structure; diazepinone derivative; equatorial conformation;
D O I：
10.1080/15421400801914970
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The compound 7-chloro-5-cyclopropyl-9-methyl-10-(2-nitro-4-trifluromethyl-phenyl)- 5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-11-one, C22H15N5O3F3Cl, crystallizes in the monoclinic crystal class under the space group P2(1)/c with cell parameters a=16.595(7) angstrom, b=8.775(7) angstrom, c=14.973(1) angstrom, beta=97.465(4), V=2161.9(3) angstrom(3), Z=4. The structure was solved by direct methods using SHELXS-97, and refined using SHELXL-97. The final residual factor is R1=0.0604 for 4116 reflections and 342 parameters. The molecular structure exhibits intramolecular hydrogen bond of the type C-H center dot center dot center dot O.
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收藏
页码：135 / 144
页数：10
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