C–H···F Hydrogen Bonds in Solid Solutions of Benzoic Acid and 4-Fluorobenzoic acid,Crystal Growth & Design

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C–H···F Hydrogen Bonds in Solid Solutions of Benzoic Acid and 4-Fluorobenzoic acid
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-04-25 00:00:00 , DOI: 10.1021/acs.cgd.8b00395
Shaunak Chakraborty ₁ , Gautam R. Desiraju ₁

Affiliation

Solid solutions (SS) of benzoic acid (BA) and 4-fluorobenzoic acid (4FBA) are monitored with respect to increasing fluorine content. All 10 SS studied take a crystal structure that is different from the crystal structures of either BA or 4FBA and retain structural uniformity over a wide range of composition. Adoption of a crystal structure different from either of the parent structure types is a unique observation in the context of SS. It implies the influence of directional interactions in the formation of the SS; this idea is strengthened by the observations made in this study. All the structural and interaction parameters monitored follow trends with respect to fluorine content. There is indication of the effect of C–H···F hydrogen bonds in the structures.

中文翻译：

苯甲酸和4-氟苯甲酸固溶体中的CHH···F氢键

监测苯甲酸（BA）和4-氟苯甲酸（4FBA）的固溶体（SS）的氟含量增加。研究的所有10种SS均具有不同于BA或4FBA的晶体结构的晶体结构，并在很宽的组成范围内保持结构均匀性。在SS的情况下，采用不同于任何一种母体结构类型的晶体结构是一种独特的观察。它暗示了方向性相互作用对SS形成的影响。这项研究中的观察结果加强了这一想法。所监测的所有结构和相互作用参数均遵循有关氟含量的趋势。有迹象表明结构中存在C–H···F氢键。

更新日期：2018-04-25

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