Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine

Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine

The disposition of functional groups can induce variations in the nature and type of interactions and hence affect the molecular recognition and self-assembly mechanism in cocrystals. To better understand the formation of cocrystals on a molecular level, the effects of disposition of functional grou...

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Bibliographic Details
Main Authors: Na Wang, Xin Huang, Lihang Chen, Jinyue Yang, Xin Li, Jiayuan Ma, Ying Bao, Fei Li, Qiuxiang Yin, Hongxun Hao
Format: Article
Language:English
Published: International Union of Crystallography 2019-11-01
Series:IUCrJ
Subjects:
cocrystal consistency
cocrystal variability
supramolecular synthons
theoretical calculations
quantum chemistry
intermolecular interactions
co-crystals
hydrogen bonding
density functional theory
lattice energy
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2052252519012363

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http://scripts.iucr.org/cgi-bin/paper?S2052252519012363

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