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()-3,4,5-三羟基-'-(3,4,5-三甲氧基亚苄基)苯甲酰肼一水合物的合成与结构

Synthesis and structure of ()-3,4,5-trihy-droxy-'-(3,4,5-tri-meth-oxy-benzyl-idene)benzohydrazide monohydrate.

作者信息

Lo Mamadou, Sene Bineta, Pouye Adji Fatou Fall, van der Lee Arie, Gassama Abdoulaye, Richeter Sébastien

机构信息

Département de Chimie, UFR des Sciences et Technologies, Laboratoire de Chimie Physique des Matériaux (LCPM), BP 523, Ziguinchor, Senegal.

Institut Européen des Membranes, Université de Montpellier, CNRS, ENSCM, 34095 Montpellier, France.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 May 13;81(Pt 6):497-500. doi: 10.1107/S2056989025004001. eCollection 2025 Jun 1.

Abstract

In the structure of the title compound, CHNO·HO, hydrogen bonds link three mol-ecules to the water mol-ecule. Additional hydrogen-bonding inter-actions connect two mol-ecules the amide nitro-gen donor and two meth-oxy oxygen acceptors. This three-dimensional hydrogen-bond network has no particular directionality, and a slight disorder of two meth-oxy groups is observed. According to force-field calculations, weaker but more extended van der Waals inter-actions show a larger stabilization effect than the hydrogen-bond inter-actions, while hydrogen-bond analysis suggests that polymorphs of the compound may be found in the future.

摘要

在标题化合物CHNO·HO的结构中,氢键将三个分子与水分子相连。额外的氢键相互作用通过酰胺氮供体和两个甲氧基氧受体连接两个分子。这种三维氢键网络没有特定的方向性,并且观察到两个甲氧基存在轻微无序。根据力场计算,较弱但范围更广的范德华相互作用显示出比氢键相互作用更大的稳定化效果,而氢键分析表明该化合物的多晶型物可能在未来被发现。

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