The title compound, C16H16N2O, a potential antiparasitic agent, crystallizes in the orthorhombic Pca21 space group with unit cell parameters a= 9.912(1) à , b= 9.035(1) à , c= 15.681(2) à . The crystalline structure is stabilized by weak C---Hâ¯O and C--Hâ¯Cg(Ï) interactions among neighboring molecules producing an efficient packing with 66.0% of occupied space. The C--Hâ¯O hydrogen bond keeps the molecules linked into supramolecular chains propagating along the a axis direction with a graph-set notation C(4), which are reinforced by C--Hâ¯Cg(Ï) interactions. Hirshfeld surface analysis of the intermolecular contacts reveal that the most important contributions for the crystal packing are from Hâ¯H (55.2%) and Hâ¯C/Câ¯H (27.1%) interactions. Energy framework calculations suggest that the contacts formed between molecules are slightly dispersive in nature.
Tópico:
Structural and Chemical Analysis of Organic and Inorganic Compounds