X-ray Structure of Fluorinated N-(2-Chloropyridin-4-yl)-N'-phenylureas. Role of F Substitution in the Crystal Packing

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• 作者：Antonio Abad ; Consuelo Agulló ; Ana C. Cuñ ; at ; Cristina Vilanova ; and M. Carmen Ram&iacute ; rez de Arellano
• 刊名：Crystal Growth & Design
• 出版年：2006
• 出版时间：January 2006
• 年：2006
• 卷：6
• 期：1
• 页码：46 - 57
• 全文大小：996K
• 年卷期：v.6,no.1(January 2006)
• ISSN：1528-7505

文摘

The X-ray crystallographic structures of nine fluorinated N-(pyridin-4-yl)-N'-phenylureas have been determined inorder to study the effect of the regiochemistry and degree of fluorination of the phenyl ring on their solid-state organization. Theanalysis of the data obtained suggests that, in addition to the traditional N-H···N and N-H···O strong interactions, the less commonand weaker F-based intermolecular interactions also play an important role in the organization of the crystal structure of these ureas,which show specific models of crystal packing as a function of the pattern of fluorine substitution. Particularly relevant are the shortdistances and strongly directional C-H···F-C interactions observed in most of these crystal structures.