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Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
release_ttcc5dwiznevbkihivlv7mzhvi
by
Cong Nguyen Tien,
Quang Nguyen Tan,
Dung Pham Duc,
Phuong Tran Hoang,
Dat Nguyen Dang,
Luong Truong Minh,
Luc Van Meervelt
Published
in Acta Crystallographica Section E: Crystallographic Communications
by International Union of Crystallography (IUCr).
2020 Volume 76, Issue Pt 5, p668-672
Abstract
The title compound, C<jats:sub>18</jats:sub>H<jats:sub>16</jats:sub>N<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>S, was synthesized by reaction of 2-mercapto-3-phenylquinazolin-4(3<jats:italic>H</jats:italic>)-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.
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