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1,4-二叔丁基 (2R,3R)-2-({(2E)-3-[4-(乙酰氧基)苯基]丙-2-烯酰基}-氧基)-3-羟基丁二酸酯

1,4-Di-tert-butyl (2R,3R)-2-({(2E)-3-[4-(acet-yloxy)phen-yl]prop-2-eno-yl}-oxy)-3-hy-droxy-butane-dioate.

作者信息

Hixson Josh L, Taylor Dennis K, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o509-10. doi: 10.1107/S160053681200236X. Epub 2012 Jan 25.

DOI:10.1107/S160053681200236X
PMID:22347110
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275254/
Abstract

The title compound, C(23)H(30)O(9), has an approximate T-shape with the tert-butyl ester groups lying either side of the benzene ring. The acetyl group is almost perpendicular to the benzene ring to which it is connected [C-C-O-C torsion angle = -106.7 (3)°]. The conformation about the C=C double bond [1.331 (4) Å] is E. Linear supra-molecular chains along the a axis mediated by hy-droxy-carbonyl O-H⋯O hydrogen bonds feature in the crystal packing. The same H atom is also involved in an intra-molecular O-H⋯O inter-action.

摘要

标题化合物C(23)H(30)O(9)呈近似T形,叔丁酯基团位于苯环两侧。乙酰基与其相连的苯环几乎垂直[C-C-O-C扭转角 = -106.7 (3)°]。C=C双键[1.331 (4) Å]的构象为E型。晶体堆积中存在沿a轴由羟基 - 羰基O-H⋯O氢键介导的线性超分子链。同一个H原子还参与了分子内O-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ac0/3275254/f9cb409aea62/e-68-0o509-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ac0/3275254/e59ca3d075dc/e-68-0o509-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ac0/3275254/f9cb409aea62/e-68-0o509-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ac0/3275254/e59ca3d075dc/e-68-0o509-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ac0/3275254/f9cb409aea62/e-68-0o509-fig2.jpg

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