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

The title compound, C H N O S, was synthesized by reaction of 2-mercapto-3-phenyl-quinazolin-4(3 )-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 ...

Full description

Saved in:
Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-05, Vol.76 (Pt 5), p.668-672
Main Authors: Nguyen Tien, Cong, Nguyen Tan, Quang, Pham Duc, Dung, Tran Hoang, Phuong, Nguyen Dang, Dat, Truong Minh, Luong, Van Meervelt, Luc
Format: Article
Language:English
Subjects:
crystal structure
hirshfeld analysis
hydrogen bonding
quinazolin-4-one
Research Communications
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The title compound, C H N O S, was synthesized by reaction of 2-mercapto-3-phenyl-quinazolin-4(3 )-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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989020005071