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从樟科香叶树中分离得到的全分子无序的(E)-2-(1-羟基-3-苯基丙-2-烯-1-亚基)-4,5-二甲氧基环戊-4-烯-1,3-二酮

Whole-mol-ecule disordered (E)-2-(1-hy-droxy-3-phenylprop-2-en-1-yl-idene)-4,5-dimeth-oxycyclo-pent-4-ene-1,3-dione isolated from Lindera oxyphylla (Lauraceae).

作者信息

Hosseinzadeh Masoumeh, Mukhtar Mat Ropi, Mohamad Jamaludin, Awang Khalijah, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1544. doi: 10.1107/S1600536811019386. Epub 2011 May 28.

Abstract

In the mol-ecule of the title compound, C(16)H(14)O(5), all non-H atoms are approximately co-planar [maximum atomic deviation = 0.064 (5) Å]. The hy-droxy group is a hydrogen-bond donor to a carbonyl O atom. Weak intermolecular C-H⋯O hydrogen bonding is present in the crystal structure. The crystal structure is 'whole-mol-ecule disordered' about an axis that runs approximately along the length of the mol-ecule; the occupancy of the two disorder components was set as exactly 0.5. An intra-molecular O--H⋯O hydrogen bond exists in each component.

摘要

在标题化合物C₁₆H₁₄O₅的分子中,所有非氢原子大致共面[最大原子偏差 = 0.064(5) Å]。羟基是一个与羰基O原子形成氢键的供体。晶体结构中存在弱的分子间C-H⋯O氢键。晶体结构围绕一条大致沿分子长度方向延伸的轴呈现“全分子无序”;两个无序组分的占有率设定为恰好0.5。每个组分中都存在一个分子内O-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d9d6/3120367/c847d0ba8123/e-67-o1544-fig1.jpg

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