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1-甲基-3-(萘-1-基)-3,3a,4,9b-四氢-1H-色烯并[4,3-c]异恶唑-3a-腈

1-Methyl-3-(naphthalen-1-yl)-3,3a,4,9b-tetra-hydro-1H-chromeno[4,3-c]isoxazole-3a-carbonitrile.

作者信息

Gangadharan Rajeswari, Sethusankar K, Murugan Gandhi, Bakthadoss Manickam

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o942. doi: 10.1107/S1600536811009731. Epub 2011 Mar 23.

Abstract

In the title compound, C(22)H(18)N(2)O(2), the pyran ring of the chromene unit is fused with an isoxazole ring, which adopts an N-envelope conformation with the N atom lying 1.3291 (14) Å from the mean plane of the remaining ring atoms [maximum deviation = 0.341 (2) Å]. The dihedral angle between the isoxazole and chromene units is 43.74 (8)° and that between the iosxazole ring and the naphthalene ring system is 58.82 (8)°. In the crystal, the molecules are linked by weak C-H⋯π inter-actions.

摘要

在标题化合物C(22)H(18)N(2)O(2)中,色烯单元的吡喃环与异恶唑环稠合,异恶唑环呈N-信封构象,N原子距离其余环原子的平均平面1.3291 (14) Å [最大偏差 = 0.341 (2) Å]。异恶唑和色烯单元之间的二面角为43.74 (8)°,异恶唑环与萘环体系之间的二面角为58.82 (8)°。在晶体中,分子通过弱C-H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0f8/3099989/9e026e45bdf3/e-67-0o942-fig1.jpg

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