3-（3-氯苯基）-1-甲基-3,3a,4,9b-四氢-1H-色烯并[4,3-c]异恶唑-3a-腈
3-(3-Chloro-phen-yl)-1-methyl-3,3a,4,9b-tetra-hydro-1H-chromeno[4,3-c]isoxazole-3a-carbonitrile.
作者信息
Swaminathan K, Sethusankar K, Murugan G, Bakthadoss M
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o799. doi: 10.1107/S1600536811007495. Epub 2011 Mar 5.
Abstract
In the title compound, C(18)H(15)ClN(2)O(2), the five-membered isoxazole ring adopts an envelope conformation [the deviation of the N atom is 0.3154 (15) Å] and the six-membered pyran ring adopts a half-chair conformation. The mean plane through all atoms of the isoxazole ring forms dihedral angles of 47.98 (8)° with the mean plane of the chromene ring system and 75.10 (9)° with the chloro-benzene ring.
摘要
在标题化合物C(18)H(15)ClN(2)O(2)中，五元异恶唑环呈信封式构象（N原子的偏差为0.3154 (15) Å），六元吡喃环呈半椅式构象。通过异恶唑环所有原子的平均平面与色烯环系的平均平面形成的二面角为47.98 (8)°，与氯苯环形成的二面角为75.10 (9)°。
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