意外形成了一种共晶体，其包含查耳酮（）-1-（5-氯硫代苯-2-基）-3-（3-甲基硫代苯-2-基）丙-2-烯-1-酮和酮-烯醇互变异构体（）-1-（5-氯硫代苯-2-基）-3-（3-甲基硫代苯-2-基）丙-1-烯-1-醇。
Unexpected formation of a co-crystal containing the chalcone ()-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one and the keto-enol tautomer ()-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-1-en-1-ol.
作者信息
Al-Refai Mahmoud, Ali Basem F, Geyer Armin, Harms Klaus, Marsch Michael
机构信息
Department of Chemistry, Al al-Bayt University, Mafraq 25113, Jordan.
Faculty of Chemistry, Philipps University Marburg, Hans-Meerwein-Strasse 4, 35032, Marburg, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2020 Mar 3;76(Pt 4):477-480. doi: 10.1107/S2056989020002583. eCollection 2020 Apr 1.
The title crystal structure is assembled from the superposition of two mol-ecular structures, ()-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one, CHClOS (93%), and ()-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-1-en-1-ol, CHClOS (7%), 0.93CHClOS·0.07CHClOS. Both were obtained from the reaction of 3-methyl-thio-phene-2-carbaldehyde and 1-(5-chloro-thio-phen-2-yl)ethanone. In the extended structure of the major chalcone component, mol-ecules are linked by a combination of C-H⋯O/S, Cl⋯Cl, Cl⋯π and π-π inter-actions, leading to a compact three-dimensional supra-molecular assembly.
标题晶体结构由两种分子结构叠加而成，即（）-1-（5-氯噻吩-2-基）-3-（3-甲基噻吩-2-基）丙-2-烯-1-酮，CHClOS（93%）和（）-1-（5-氯噻吩-2-基）-3-（3-甲基噻吩-2-基）丙-1-烯-1-醇，CHClOS（7%），0.93CHClOS·0.07CHClOS。两者均由3-甲基噻吩-2-甲醛与1-（5-氯噻吩-2-基）乙酮反应制得。在主要查尔酮组分的扩展结构中，分子通过C-H⋯O/S、Cl⋯Cl、Cl⋯π和π-π相互作用相结合，形成紧密的三维超分子聚集体。
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