Crystal Structural Analysis of Two Ritonavir Conformational Polymorphs

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Abstract

In this paper, the structural basis of polymorph stability was investigated using the conformational polymorphic drug ritonavir as a model drug. For Form I and Form Ⅱ, the molecular conformations were analyzed, the intermolecular hydrogen bonds were analyzed by PLATON software and the intermolecular interaction potential and packing energy were calculated by UNI method. In addition, the relative contributions of various intermolecular contacts were calculated by Hirshfeld surface method. The results showed that compared with Form I, the ritonavir molecules of Form Ⅱ have lower intermolecular interaction potential, lower packing energy and higher packing index, so they can arrange in a more stable packing structure.

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	Articles by authors
	Li Long
	Teng Rugang
	Bao Ying
	Wu Wei

Keywords： ritonavir； conformational polymorph； thermodynamic stability

Received 2016-03-30;

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Cite this article:

Li Long, Teng Rugang, Bao Ying, Wu Wei.Crystal Structural Analysis of Two Ritonavir Conformational Polymorphs[J] Chemcial Industry and Engineering, 2018,V35(3): 62-67

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