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Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di-hydro-quinazolin-2-yl)sulfan-yl]acetate.

ABSTRACT: The title compound, C18H16N2O3S, was synthesized by reaction of 2-mercapto-3-phenyl-quinazolin-4(3H)-one with ethyl chloro-acetate. 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 inter-actions result in the formation of columns running in the [010] direction. Two parallel columns further inter-act 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%) inter-actions, as concluded from a Hirshfeld analysis.

SUBMITTER: Nguyen Tien C

PROVIDER: S-EPMC7199254 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature

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Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di-hydro-quinazolin-2-yl)sulfan-yl]acetate.

Nguyen Tien Cong C Nguyen Tan Quang Q Pham Duc Dung D Tran Hoang Phuong P Nguyen Dang Dat D Truong Minh Luong L Van Meervelt Luc L

Acta crystallographica. Section E, Crystallographic communications 20200417 Pt 5

The title compound, C18H16N2O3S, was synthesized by reaction of 2-mercapto-3-phenyl-quinazolin-4(3H)-one with ethyl chloro-acetate. 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 inter-actions result in the formation of columns running in the [010] direction. Two parallel co ...[more]

PMID: 32431930

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