(2E)-3-(3,5-Dichloro-4-methoxy-2,6-di-methylphenyl)1-(2,4-dichlorophenyl)-prop-2-en-1-one

被引:0
作者
Jasinski, Jerry P.
Butcher, Ray J.
Mayekar, Anil N.
Narayana, B.
Yathirajan, H. S.
机构
[1] Keene State Coll, Dept Chem, Keene, NH 03435 USA
[2] Howard Univ, Dept Chem, Washington, DC 20059 USA
[3] Univ Mysore, Dept Studies Chem, Mysore 570006, Karnataka, India
[4] Mangalore Univ, Dept Studies Chem, Mangalagangothri 574199, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2007年 / 63卷
关键词
single-crystal X-ray study; T=296 K; mean alpha(C-C)=0.011 angstrom; R factor=0.081; wR factor=0.239; data-to-parameter ratio=18.7;
D O I
10.1107/S1600536807047654
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C18H14Cl4O2, the angle between the mean planes of the 3,5-dichloro-4-methoxy-2,6-dimethyl-phenyl and 2,4-dichlorophenyl groups is 47.6 (2)degrees. The 4-methoxy group, with a torsion angle of 91.9 (9)degrees, 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)degrees]. The crystal packing is stabilized by intermolecular C-H center dot center dot center dot 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.
引用
收藏
页码:O4229 / U2575
页数:14
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