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1-(2-萘基)-3-苯基-3-(4,5,6,7-四氢-1,2,3-苯并硒二唑-4-基)丙-1-酮

1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazol-4-yl)propan-1-one.

作者信息

Muthukumaran J, Nachiappan M, Chitra S, Manisankar P, Bhattacharya Suman, Muthusubramanian S, Krishna R, Jeyakanthan J

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2010-1. doi: 10.1107/S1600536811027103. Epub 2011 Jul 13.

Abstract

In the title compound, C(25)H(22)N(2)OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-molecular C-H⋯O and C-H⋯π inter-actions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) Å.

摘要

在标题化合物C₂₅H₂₂N₂OSe中,4,5,6,7-四氢-1,2,3-苯并硒二唑基团的稠合六元环己烯环呈近半椅构象,五元1,2,3-硒二唑环基本为平面结构(均方根偏差 = 0.004 Å)。晶体结构中存在弱的分子间C-H⋯O和C-H⋯π相互作用。在萘基单元之间也观察到分子间π-π堆积,质心间距为3.529 (15) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90ea/3213465/67bfe2e6dc3a/e-67-o2010-fig1.jpg

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