The Crystal Structure of N-[(2E)-3-(4-Chlorophenyl)prop-2-en-1-yl]-4-methoxy-N-methylbenzenesulfonamide

被引：2
|
作者：
Carrozzini, Benedetta [1 ]
Belviso, Benny Danilo [1 ]
Bruno, Claudio [2 ]
Cavalluzzi, Maria Maddalena [2 ]
Lovece, Angelo [2 ]
Lentini, Giovanni [2 ]
Caliandro, Rocco [1 ]
机构：
[1] CNR, Ist Cristallog, Via G Amendola,122-o, I-70126 Bari, Italy
[2] Univ Bari Aldo Moro, Dipartimento Farm Sci Farmaco, Via E Orabona 4, I-70126 Bari, Italy
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2019年 / 49卷 / 02期
关键词：
Ca(2+/)calmodulin-dependent protein kinase II; Tertiary sulfonamide; KN-92; KN-93; -; interactions; Cl-pi interactions; PROTEIN-KINASES; INHIBITOR; KN-93;
D O I：
10.1007/s10870-018-0739-x
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound C17H18ClNO3S crystallizes in the monoclinic P2(1)/c space group with unit cell parameters a=15.040(3) angstrom, b=9.151 (6)angstrom, c=13.868 (7)angstrom, =116.38 (5)degrees. Chlorophenyl and methoxyphenyl ring planes are approximately perpendicular and the two moieties form an angle of 82.2 degrees. The crystal packing is stabilized by - and Cl- interactions, which occur between parallel methoxyphenyl and chlorophenyl moieties. Dipolar intermolecular contacts, mainly involving the oxygen atoms and C-H, also contribute to the crystal network.Graphical AbstractThe title compound is formed in the synthetic route for the production of potent inhibitors of calmodulin. Its crystal structure shows the chlorophenyl and methoxyphenyl moieties forming an angle of 82.2 degrees. The crystal packing is stabilized by -, Cl- and dipolar intermolecular contacts. [GRAPHICS] .
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收藏
页码：87 / 91
页数：5
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