Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

被引:3
|
作者
Pehlivanlar, Ezgi [1 ,2 ]
Yildirim, Sema Ozturk [3 ,4 ]
Simsek, Rahime [1 ,4 ]
Akkurt, Mehmet
Butcher, Ray J. [5 ]
Bhattarai, Ajaya [6 ]
机构
[1] Hacettepe Univ, Dept Pharmaceut Chem, Fac Pharm, TR-06100 Ankara, Turkiye
[2] Karadeniz Tech Univ, Fac Pharm, Dept Pharmaceut Chem, TR-61000 Trabzon, Turkiye
[3] Eskisehir Tech Univ, Fac Sci, Dept Phys, Yunus Emre Campus, TR-26470 Eskisehir, Turkiye
[4] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[5] Howard Univ, Dept Chem, Washington, DC 20059 USA
[6] Tribhuvan Univ, MMAMC, Dept Chem, Biratnagar, Nepal
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2023年 / 79卷
关键词
crystal structure; hydrogen bonds; van der Waals forces; C-H center dot center dot center dot F interactions; Hirshfeld surface analysis;
D O I
10.1107/S2056989023005455
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The 1,4-dihydropyridine ring of the title compound, C24H29F2NO4, adopts a distorted boat conformation, while the cyclohexene ring is in an almost twistboat conformation. In the crystal, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds as well as C-H center dot center dot center dot pi interactions connect molecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C-H center dot center dot center dot F interactions, which consolidate the crystal structure. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H center dot center dot center dot H (54.1%), F center dot center dot center dot H/H center dot center dot center dot F (16.9%), O center dot center dot center dot H/H center dot center dot center dot O (15.4%) and C center dot center dot center dot H/H center dot center dot center dot C (12.6%) contacts.
引用
收藏
页码:664 / +
页数:12
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