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

被引:1
|
作者
Yildirim, Sema Ozturk [1 ,2 ]
Akkurt, Mehmet [3 ]
Cetin, Gokalp [4 ]
Simsek, Rahime [5 ]
Butcher, Ray J. [6 ]
Bhattarai, Ajaya [7 ]
机构
[1] Eskisehir Tech Univ, Dept Phys, Fac Sci, Yunus Emre Campus, TR-26470 Eskisehir, Turkiye
[2] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[3] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[4] Erzincan Binali Yildirim Univ, Dept Pharmaceut Chem, Fac Pharm, TR-24100 Erzincan, Turkiye
[5] Hacettepe Univ, Dept Pharmaceut Chem, Fac Pharm, TR-06100 Ankara, Turkiye
[6] Howard Univ, Dept Chem, Washington, DC 20059 USA
[7] M M A M C Tribhuvan Univ, Dept Chem, Biratnagar, Nepal
关键词
crystal structure; 1,4-dihydropyridine ring; cyclohexene ring; quinoline ring system; van der Waals interactions; Hirshfeld surface analysis;
D O I
10.1107/S2056989023009623
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C24H29F2NO4, which crystallizes in the orthorhombic Pca2(1) space group with Z = 4, the 1,4-dihydropyridine ring adopts a distorted boat conformation, while the cyclohexene ring is in a distorted half-chair conformation. In the crystal, the molecules are linked by N-H center dot center dot center dot O and C-H center dot center dot center dot O interactions, forming supramolecular chains parallel to the a axis. These chains pack with C-H center dot center dot center dot pi interactions between them, forming layers parallel to the (010) plane. The cohesion of the crystal structure is ensured by van der Waals interactions between these layers. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H center dot center dot center dot H (56.9%), F center dot center dot center dot H/H center dot center dot center dot F (15.7%), O center dot center dot center dot H/H center dot center dot center dot O (13.7%) and C center dot center dot center dot H/H center dot center dot center dot C (9.5%) contacts.
引用
收藏
页码:1132 / +
页数:11
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