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Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate

The title compound, C(18)H(16)N(2)O(3)S, 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 (1...

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Detalles Bibliográficos
Autores principales: Nguyen Tien, Cong, Nguyen Tan, Quang, Pham Duc, Dung, Tran Hoang, Phuong, Nguyen Dang, Dat, Truong Minh, Luong, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199254/
https://www.ncbi.nlm.nih.gov/pubmed/32431930
http://dx.doi.org/10.1107/S2056989020005071
Descripción
Sumario:The title compound, C(18)H(16)N(2)O(3)S, 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.