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一系列氯化锌(II)苯甲酰胺配合物的晶体结构与氢键分析

Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride.

作者信息

Tinapple Elizabeth, Farrar Sam, Johnston Dean H

机构信息

Department of Chemistry, Otterbein University, Westerville, OH 43081, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Aug 17;77(Pt 9):880-886. doi: 10.1107/S2056989021008264. eCollection 2021 Sep 1.

Abstract

Ionic co-crystals are co-crystals between organic mol-ecules and inorganic salt coformers. Co-crystals of pharmaceuticals are of inter-est to help control polymorph formation and potentially improve stability and other physical properties. We describe the preparation, crystal structures, and hydrogen bonding of five different 2:1 benzamide or tolu-amide/zinc(II) chloride co-crystal salts, namely, bis-(benzamide-κ)di-chlorido-zinc(II), [ZnCl(CHNO)], di-chlor-ido-bis-(2-methyl-benzamide-κ)zinc(II), [ZnCl(CHNO)], di-chlorido-bis-(3-methyl-benzamide-κ)zinc(II), [ZnCl(CHNO)], di-chlorido-bis-(4-methyl-benzamide-κ)zinc(II), [ZnCl(CHNO)], and di-chlorido-bis-(4-hy-droxy-benzamide-κ)zinc(II), [ZnCl(CHNO)]. All of the complexes contain hydrogen bonds between the amide N-H group and the amide carbonyl oxygen atoms or the chlorine atoms, forming extended networks.

摘要

离子共晶体是有机分子与无机盐共形成物之间的共晶体。药物共晶体有助于控制多晶型的形成,并有可能提高稳定性和其他物理性质,因而受到关注。我们描述了五种不同的2:1苯甲酰胺或甲苯酰胺/氯化锌(II)共晶体盐的制备、晶体结构和氢键,即双(苯甲酰胺-κ)二氯锌(II),[ZnCl(CHNO)]、二氯双(2-甲基苯甲酰胺-κ)锌(II),[ZnCl(CHNO)]、二氯双(3-甲基苯甲酰胺-κ)锌(II),[ZnCl(CHNO)]、二氯双(4-甲基苯甲酰胺-κ)锌(II),[ZnCl(CHNO)],以及二氯双(4-羟基苯甲酰胺-κ)锌(II),[ZnCl(CHNO)]。所有配合物在酰胺N-H基团与酰胺羰基氧原子或氯原子之间均含有氢键,形成了扩展网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08e0/8423010/7e494dc5aa2c/e-77-00880-fig1.jpg

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