8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbonitrile

被引:0
作者
Suresh, G. [1 ]
Srinivasan, J. [2 ]
Bakthadoss, M. [2 ]
Aravindhan, S. [1 ]
机构
[1] Presidency Coll Autonomous, Dept Phys, Chennai 600005, Tamil Nadu, India
[2] Univ Madras, Dept Organ Chem, Chennai 600025, Tamil Nadu, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷
关键词
data-to-parameter ratio = 16.0; mean σ(C-C) = 0.005 Å; R factor = 0.047; single-crystal X-ray study; T = 298 K; wR factor = 0.102;
D O I
10.1107/S1600536813002511
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C17H11BrN2O2, the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a halfchair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68 (2)(degrees). The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79 (15)(degrees). The latter forms a dihedral angle of 34.10 (17)(degrees) with the phenyl ring. In the crystal, molecules are linked by C-H... N hydrogen bonds, forming an undulating two- dimensional network parallel to the ab plane.
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页码:O312 / +
页数:7
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