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(2 E )‐3‐(3,5‐Dichloro‐4‐methoxy‐2,6‐dimethylphenyl)‐1‐(2,4‐dichlorophenyl)prop‐2‐en‐1‐one
Author(s) -
Jasinski Jerry P.,
Butcher Ray J.,
Mayekar Anil N.,
Narayana B.,
Yathirajan H. S.
Publication year - 2007
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536807047654
Subject(s) - crystallography , molecule , ketone , benzene , chemistry , crystal structure , dihedral angle , ring (chemistry) , hydrogen bond , group (periodic table) , intermolecular force , atom (system on chip) , stereochemistry , organic chemistry , computer science , embedded system
In the title molecule, C 18 H 14 Cl 4 O 2 , the angle between the mean planes of the 3,5‐dichloro‐4‐methoxy‐2,6‐dimethylphenyl and 2,4‐dichlorophenyl groups is 47.6 (2)°. The 4‐methoxy group, with a torsion angle of 91.9 (9)°, is twisted away from the plane of the 3,5‐dichloro‐2,6‐dimethylphenyl ring in an anticlinal conformation. The ketone O atom of the prop‐2‐en‐1‐one group is twisted in a synclinal conformation with the 2,4‐dichlorophenyl group [torsion angle = 45.5 (11)°]. The crystal packing is stabilized by intermolecular C—H...O hydrogen bonding between the ketone O atom from the prop‐2‐en‐1‐one group and an H atom from a nearby 2,4‐dichlorophenyl group, which link the molecules into chains along the a axis. The 3,5‐dichloro‐4‐methoxy‐2,6‐dimethylphenyl and 2,4‐dichlorophenyl groups are aligned obliquely parallel to the ac face, with the benzene rings stacked obliquely along the b axis for both groups.

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