Author/Authors :
Tien, Cong Nguyen Faculty of Chemistry - Ho Chi Minh City University of Education, HVietnam , Tan, Quang Nguyen Faculty of Chemistry - Ho Chi Minh City University of Education, HVietnam , Duc, Dung Pham Faculty of Chemistry - Ho Chi Minh City University of Education, HVietnam , Tran Hoang, Phuong Faculty of Chemistry - University of Science, Vietnam , Dang, Dat Nguyen Faculty of Chemistry - Hanoi National University of Education, Vietnam , Minh, Luong Truong Faculty of Chemistry - Hanoi National University of Education, Vietnam , Meervelt, Luc Van Department of Chemistry - KU Leuven - Biomolecular Architecture, Belgium
Abstract :
The title compound, C18H16N2O3S, was synthesized by reaction of 2-mercapto-3-phenylquinazolin-4(3H)-one with ethyl chloroacetate. The quinazoline ring forms a dihedral angle of 86.83 (5)° with the phenyl ring. The terminal methyl group is disordered by a rotation of about 60° in a 0.531 (13): 0.469 (13) ratio. In the crystal, C—H⋯O hydrogen-bonding interactions result in the formation of columns running in the [010] direction. Two parallel columns further interact by C—H⋯O hydrogen bonds. The most important contributions to the surface contacts are from H⋯H (48.4%), C⋯H/H⋯C (21.5%) and O⋯H/H⋯O (18.7%) interactions, as concluded from a Hirshfeld analysis.
Keywords :
crystal structure , quinazolin-4-one , hydrogen bonding , Hirshfeld analysis
