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“更高的密度并不意味着更高的稳定性”之谜终于被揭开。

"Higher density does not mean higher stability" mystery of paracetamol finally unraveled.

机构信息

A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991, Vavilov Str., 28, Moscow, Russia.

出版信息

Chem Commun (Camb). 2010 May 28;46(20):3469-71. doi: 10.1039/b927429d. Epub 2010 Apr 21.

DOI:10.1039/b927429d
PMID:20407690
Abstract

Topological analysis of the experimental electron density distribution functions for two polymorphs of paracetamol showed that strong H-bonds are responsible for the higher stability of crystal phase I, weak interactions for the higher density of phase II. This made it possible to finally resolve the contradiction between the relative stabilities and the densities of the two paracetamol polymorphs.

摘要

对扑热息痛两种多晶型的实验电子密度分布函数进行拓扑分析表明,强氢键是导致晶相 I 稳定性更高的原因,而弱相互作用则是导致晶相 II 密度更高的原因。这使得最终解决两种扑热息痛多晶型的相对稳定性和密度之间的矛盾成为可能。

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