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2-(3a,8a-二甲基-4-氧代十氢薁-6-基)丙烯酸甲酯

Methyl 2-(3a,8a-dimethyl-4-oxodeca-hydro-azulen-6-yl)acrylate.

作者信息

Tebbaa Mohamed, Benharref Ahmed, Berraho Moha, Daran Jean Claude, Akssira Mohamed, Elhakmaoui Ahmed

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2187-8. doi: 10.1107/S1600536811029928. Epub 2011 Jul 30.

Abstract

The title compound, C(16)H(24)O(3), was synthesized from ilicic acid, which was isolated from the aerial part of Inula viscosa- (L) Aiton [or Dittrichia viscosa- (L) Greuter]. The asymmetric unit contains two independent mol-ecules, in each of which the seven-membered ring shows a chair conformation, whereas the five-membered ring presents disorder. In the two molecules, three C atoms in the five-membered ring are disordered over two positions with site-occupancy factors of 0.53/0.47 and 0.83/0.17. The dihedral angle between the two rings is different in the two mol-ecules [31.7 (3) and 47.7 (7)°]. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen-bond inter-actions.

摘要

标题化合物C(16)H(24)O(3)由从粘毛旋覆花(Inula viscosa - (L) Aiton [或粘毛白酒草(Dittrichia viscosa - (L) Greuter)])地上部分分离得到的亚油酸合成。不对称单元包含两个独立分子,每个分子中七元环呈椅式构象,而五元环存在无序现象。在这两个分子中,五元环中的三个碳原子在两个位置上无序排列,占位因子分别为0.53/0.47和0.83/0.17。两个环之间的二面角在两个分子中不同[31.7 (3)°和47.7 (7)°]。晶体结构通过弱的分子间C - H⋯O氢键相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a76d/3213619/1a2221228c2c/e-67-o2187-fig1.jpg

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