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三种功能化查耳酮的晶体结构:4'-二甲基氨基-3-硝基查耳酮、3-二甲基氨基-3'-硝基查耳酮和3'-硝基查耳酮。

Crystal structures of three functionalized chalcones: 4'-di-methyl-amino-3-nitro-chalcone, 3-di-methyl-amino-3'-nitrochalcone and 3'-nitro-chalcone.

作者信息

Hall Charlie L, Hamilton Victoria, Potticary Jason, Cremeens Matthew E, Pridmore Natalie E, Sparkes Hazel A, D'ambruoso Gemma D, Warren Stephen D, Matsumoto Masaomi, Hall Simon R

机构信息

School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, England.

Department of Chemistry & Biochemistry, Gonzaga University, 502 E Boone Ave, Spokane, WA 99258, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Sep 4;76(Pt 10):1599-1604. doi: 10.1107/S2056989020011858. eCollection 2020 Oct 1.

Abstract

The structure of three functionalized chalcones (1,3-di-aryl-prop-2-en-1-ones), containing combinations of nitro and di-methyl-amino functional groups, are presented, namely, 1-[4-(di-methyl-amino)-phen-yl]-3-(3-nitro-phen-yl)prop-2-en-1-one, CHNO, Gp8m, 3-[3-(di-methyl-amino)-phen-yl]-1-(3-nitro-phen-yl)prop-2-en-1-one, CHNO, Hm7m and 1-(3-nitro-phen-yl)-3-phenyl-prop-2-en-1-one, CHNO, Hm1-. Each of the mol-ecules contains bonding motifs seen in previously solved crystal structures of functionalized chalcones, adding to the large dataset available for these small organic mol-ecules. The structures of all three of the title compounds contain similar bonding motifs, resulting in two-dimensional planes of mol-ecules formed C-H⋯O hydrogen-bonding inter-actions involving the nitro- and ketone groups. The structure of Hm1- is very similar to the crystal structure of a previously solved isomer [Jing (2009 ▸). E, o2510].

摘要

本文介绍了三种功能化查尔酮(1,3 - 二芳基 - 丙 - 2 - 烯 - 1 - 酮)的结构,它们含有硝基和二甲基氨基官能团的组合,即1 - [4 - (二甲基氨基) - 苯基] - 3 - (3 - 硝基苯基)丙 - 2 - 烯 - 1 - 酮,CHNO,Gp8m;3 - [3 - (二甲基氨基) - 苯基] - 1 - (3 - 硝基苯基)丙 - 2 - 烯 - 1 - 酮,CHNO,Hm7m;以及1 - (3 - 硝基苯基) - 3 - 苯基丙 - 2 - 烯 - 1 - 酮,CHNO,Hm1 - 。每个分子都包含在先前解析的功能化查尔酮晶体结构中出现的键合模式,这增加了这些小有机分子的可用大数据集。所有三种标题化合物的结构都包含相似的键合模式,通过涉及硝基和酮基的C - H⋯O氢键相互作用形成二维分子平面。Hm1 - 的结构与先前解析的一种异构体的晶体结构非常相似[Jing (2009 ▸). E, o2510]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5dbf/7534226/5a6310c1133f/e-76-01599-fig1.jpg

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