Polymorphism as introduced by McCrone is “the ability of a given element or compound to crystallize as more than one distinct crystal species” [1]. The study of polymorphism has rightly maintained its importance in crystal engineering and has benefited from the increasing development and use of X-ray crystallography analysis [2]. Moreover, computational calculations can also help to resolve and/or predict the most stable and meta-stable crystal structures of various polymorphs. In crystal engineering view point, it has been found that the hydrogen bonds play a significant role in the crystallization of polymorphic structures [3, 4]. Here, we report theoretical studies on the polymorphic structures of N-(1,3-Thiazol-2-yl)- 2-pyrazinecarboxamide compound, which have been considered by the exploring the stabilization effect of hydrogen bonding in the crystal packing structures.

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