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2‐(4‐Chlorophenyl)‐3‐{[(1 E )‐(4‐chlorophenyl)methylene]amino}‐2,3‐dihydroquinazolin‐4(1 H )‐one
Author(s) -
Butcher Ray J.,
Jasinski Jerry P.,
Narayana B.,
Sunil K.,
Yathirajan H. S.
Publication year - 2007
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536807043632
Subject(s) - dihedral angle , quinazoline , chemistry , methylene , hydrogen bond , ring (chemistry) , crystallography , group (periodic table) , medicinal chemistry , amine gas treating , crystal structure , methyl group , stereochemistry , molecule , organic chemistry
The title molecule, C 21 H 15 Cl 2 N 3 O, consists of two coplanar 4‐chlorophenyl groups bonded to a distorted (envelope) dihydroquinazoline ring with a dihedral angle of 58.9 (1)° between the 4‐chlorophenyl groups. The angles between the mean planes of the benzyl group of the nonplanar dihydroquinazoline group and those of the two 4‐chlorophenyl groups are 82.0 (6) and 84.3 (3)°, respectively. The torsion angle of the methylene amine linkage indicates a significant twist between the dihydroquinazolin‐4(1 H )‐one and attached 4‐chlorophenyl group. Disordered chlorine atoms (0.86:0.14) occur within the singly attached 4‐chlorophenyl group bonded to the dihydroquinazoline ring. Crystal packing is stabilized by intermolecular N—H...O hydrogen bonding between dihydroquinazoline groups, linking the molecules into chains along the b axis.

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