(2S,5S,6R)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-6-carbonitrile

被引:2
作者
Swaminathan, K. [1 ]
Sethusankar, K. [1 ]
Srinivasan, J. [2 ]
Bakthadoss, M. [2 ]
机构
[1] RKM Vivekananda Coll Autonomous, Dept Phys, Madras 600004, Tamil Nadu, India
[2] Univ Madras, Dept Organ Chem, Madras 600025, Tamil Nadu, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2012年 / 68卷
关键词
data-to-parameter ratio = 17.6; mean σ(C-C) = 0.007 Å; R factor = 0.081; single-crystal X-ray study; T = 293 K; wR factor = 0.252;
D O I
10.1107/S1600536811055413
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C24H20N2O2, the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by 0.654 (6) angstrom. The five-membered isoxazole ring adopts an N-envelope conformation with the N atom displaced by 0.742 (5) angstrom from the mean plane formed by the remaining ring atoms. The carbonitrile side chain is almost linear, with a C-C-N angle of 178.6 (5)degrees. The crystal packing is stabilized by intermolecular C-H center dot center dot center dot N interactions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The molecular structure and crystal packing are further stabilized by intramolecular and intermolecular C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O283 / U1678
页数:12
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