Crystal structure of 1,1-dichloro-4-formyl-3-methyl-1a-phenyl-1a,2,3,4-tetrahydro-1H-azirino[1,2-a][1,5]benzodiazepine (C18H16Cl2N2O)

被引:0
作者
Xu, JX [1 ]
Zhang, XY [1 ]
Jin, S [1 ]
机构
[1] Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China
关键词
crystal structure; azirino[1,2-a][1,5]benzodiazepine; 1,5-benzodiazepine;
D O I
暂无
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The crystal structure of the title compound, 1,1-dichloro-4-formyl-3-methyl-1a-phenyl-1a,2,3,4-tetrahydro-1H-azirino [1,2-a] [1,5]benzodiazepine (C-18-H16Cl2N2O, M-r=347.76) was crystallized in the monoclinic system, space group P2(1)/n, with cell dimensions a=9.6548(9), b=10.438(2), c=16.732(2) Angstrom, beta=99.24(1)degrees, V=1664.3(4) Angstrom(3), Z=4, D-c=1.388 gcm(-3), MoK alpha(lambda=0.71073 Angstrom), F(000)=716, mu=0.394mm(-1). The structure was solved by direct methods and refined by full matrix least-squares method, and the final crystallographic discrepancy factor is 0.036 for 1884 observed reflections. The molecular backbone is a tricyclic system with the central seven-membered 1,5-diazepine ring in twisted boat-like conformation and cis-fused to both aziridine ring and benzene ring.
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页码:267 / 270
页数:4
相关论文
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[14]  
许家喜, 1998, [北京大学学报. 自然科学版, Acta Scientiarum Naturalium Universitatis Pekinensis], V34, P442