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消旋-7-甲基-3-[(7-甲基-4-氧代-色满-3-基)甲基]-4H-色烯-4-酮

rac-7-Methyl-3-[(7-methyl-4-oxo-chro-man-3-yl)meth-yl]-4H-chromen-4-one.

作者信息

Somasundaram M, Rajendiran A, Balasubramanian K K, Krishnasamy K, Kabilan S

机构信息

Department of Chemistry, Annamalai University, Annamalai Nagar, Chidambaram, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o763. doi: 10.1107/S1600536813009422. Print 2013 May 1.

Abstract

In the racemic title compound, C21H18O4, the chromone ring is essentially planar [maximum deviation from the least-squares plane = 0.026 (3) Å], with a dihedral angle of 78.18 (12)° between the benzene rings of the chromanone and chromenone moieties. In the crystal, there are weak π-π stacking inter-actions [minimum ring centroid separation = 3.9286 (17) Å].

摘要

在消旋标题化合物C₂₁H₁₈O₄中,色酮环基本呈平面状[与最小二乘平面的最大偏差 = 0.026 (3) Å],色满酮和色烯酮部分的苯环之间的二面角为78.18 (12)°。在晶体中,存在弱的π-π堆积相互作用[最小环心间距 = 3.9286 (17) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c86/3648289/7d260da05486/e-69-0o763-fig1.jpg

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