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(E)-3-[4-(十二烷氧基)苯基]-1-(2-羟基苯基)丙-2-烯-1-酮

(E)-3-[4-(Dodec-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

作者信息

Razak Ibrahim Abdul, Fun Hoong-Kun, Ngaini Zainab, Fadzillah Siti Muhaini Haris, Hussain Hasnain

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1133-4. doi: 10.1107/S1600536809014925.

DOI:10.1107/S1600536809014925
PMID:21583943
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977806/
Abstract

In the title compound, C(27)H(36)O(3), the asymmetric unit consists of two crystallographically independent mol-ecules. The aromatic rings form dihedral angles of 17.1 (2) and 17.6 (2)° in the two molecules. In both mol-ecules, the enone groups adopt an s-cis conformation and the alkoxyl chains are in trans conformations curving out of the zigzag plane. Intra-molecular O-H⋯O hydrogen bonds involving the keto and hydr-oxy groups generate S(6) ring motifs. The mol-ecules are stacked alternately in a head-to-tail fashion along the a axis and the crystal structure is stabilized by weak C-H⋯π inter-actions. The crystal studied was a non-merohedral twin, the ratio of components being 0.788 (2):0.212 (2).

摘要

在标题化合物C(27)H(36)O(3)中,不对称单元由两个晶体学独立的分子组成。两个分子中的芳环形成的二面角分别为17.1 (2)°和17.6 (2)°。在两个分子中,烯酮基团均采取s-顺式构象,烷氧基链呈反式构象并弯曲出锯齿形平面。涉及酮基和羟基的分子内O-H⋯O氢键形成S(6)环模式。分子沿a轴以头对尾的方式交替堆积,晶体结构通过弱C-H⋯π相互作用得以稳定。所研究的晶体为非镜像孪晶,组分比例为0.788 (2):0.212 (2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11d2/2977806/a55bf496a40e/e-65-o1133-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11d2/2977806/e478dda7628f/e-65-o1133-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11d2/2977806/a55bf496a40e/e-65-o1133-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11d2/2977806/e478dda7628f/e-65-o1133-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11d2/2977806/a55bf496a40e/e-65-o1133-fig2.jpg

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