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(E)-3-(蒽-9-基)-1-(2-羟基苯基)丙-2-烯-1-酮的重新测定

Redetermination of (E)-3-(anthracen-9-yl)-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

作者信息

Chantrapromma Suchada, Kobkeatthawin Thawanrat, Chanawanno Kullapa, Joothamongkhon Jaruwan, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2554-5. doi: 10.1107/S1600536811034994. Epub 2011 Sep 3.

Abstract

The redetermined structure of title chalcone derivative, C(23)H(16)O(2), corrects errors in the title, scheme and synthesis in the previous report of the same structure [Jasinski et al. (2011 ▶). Acta Cryst. E67, o795]. There are two independent mol-ecules in the asymmetric unit with slight differences in bond lengths and angles. The dihedral angle between the benzene ring and the anthracene ring system is 73.30 (4)° in one mol-ecule and 73.18 (4)° in the other. Both mol-ecules feature an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules are arranged into sheets lying parallel to the ac plane and further stacked along the b axis by π-π inter-actions with centroid-centroid distances in the range 3.6421 (6)-3.7607 (6) Å. The crystal structure is further stabilized by C-H⋯π inter-actions. There are also C⋯O [3.2159 (15) Å] short contacts.

摘要

标题查尔酮衍生物C(23)H(16)O(2)的重新确定结构纠正了之前相同结构报告[Jasinski等人,(2011 ▶)。Acta Cryst. E67, o795]中标题、方案和合成方面的错误。不对称单元中有两个独立分子,其键长和键角略有差异。一个分子中苯环与蒽环系统之间的二面角为73.30 (4)°,另一个分子中为73.18 (4)°。两个分子均具有分子内O-H⋯O氢键,形成一个S(6)环。在晶体中,分子排列成平行于ac平面的片层,并通过π-π相互作用沿b轴进一步堆积,质心间距在3.6421 (6)-3.7607 (6) Å范围内。晶体结构通过C-H⋯π相互作用进一步稳定。还存在C⋯O [3.2159 (15) Å]短接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d234/3201364/8dd0769f4eba/e-67-o2554-fig1.jpg

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