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

Authors :
Cong Nguyen Tien
Quang Nguyen Tan
Dung Pham Duc
Phuong Tran Hoang
Dat Nguyen Dang
Luong Truong Minh
Van Meervelt, Luc
Source :
Acta Crystallographica Section E: Crystallographic Communications; May2020, Vol. 76 Issue 5, preceding p668-672, 10p
Publication Year :
2020

Abstract

The title compound, C<subscript>18</subscript>H<subscript>16</subscript>N<subscript>2</subscript>O<subscript>3</subscript>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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
76
Issue :
5
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
143129213
Full Text :
https://doi.org/10.1107/S2056989020005071