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

ABSTRACT: 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 II _HT (Pcam), was observed. The structural transformation between forms I and II involves significant changes in the crystal packing, as well as a key conformational variation around the propyl chain of the molecule. After the first irreversible phase transition, the II _HT form undergoes two further (reversible) phase transitions upon cooling at 361 K (II _RT) and 181 K (II _LT). All three phases

SUBMITTER: Zuniga FJ 

PROVIDER: S-EPMC6211527 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature