Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole

Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole

This paper reports on the polymorphism of 2-propyl-1H-benzimidazole (2PrBzIm) induced by temperature change. Upon heating, an irreversible reconstructive-type phase transition at T = 384 K from the ordered form I (P212121) to a new polymorph, form IIHT (Pcam), was observed. The structural transforma...

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Bibliographic Details
Main Authors: Fco. Javier Zuñiga, Aurora J. Cruz-Cabeza, Xabier M. Aretxabaleta, Noelia de la Pinta, Tomasz Breczewski, María Mar Quesada-Moreno, Juan Ramón Avilés-Moreno, Juan Jesús López-González, Rosa M. Claramunt, Jose Elguero
Format: Article
Language:English
Published: International Union of Crystallography 2018-11-01
Series:IUCrJ
Subjects:
molecular crystals
polymorphism
phase transitions
conformational changes
energy minimization
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2052252518011685

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http://scripts.iucr.org/cgi-bin/paper?S2052252518011685

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