Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate

In the title compound, C25H22N2O3S·0.04H2O, the central cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N-H⋯O, C-H⋯O, and C-H⋯N hydrogen bonds, forming the molecular layers parallel to the bc plane, which interact by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H⋯H (41.2%), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%). © 2021 International Union of Crystallography. All rights reserved.

Авторы
Naghiyev F.N.1 , Khrustalev V.N. 2, 3 , Akkurt M.4 , Huseynov E.Z.1 , Khalilov A.N.1, 5 , Akobirshoeva A.A.6 , Mamedov B.G.1
Издательство
International Union of Crystallography
Язык
Английский
Страницы
366-371
Статус
Опубликовано
Том
77
Год
2021
Организации
  • 1 Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, Baku, 1148, Azerbaijan
  • 2 Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St.6, Moscow, 117198, Russian Federation
  • 3 N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation
  • 4 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 5 Composite Materials Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Baku, Az 1063, Azerbaijan
  • 6 Acad Sci Republ Tadzhikistan, Kh Yu Yusufbekov Pamir Biol Inst, 1 Kholdorova St, Khorog, Gbao, 736002, Tajikistan
Ключевые слова
1,2,7,8-Tetrahydroisoquinoline ring system; crystal structure; cyclocondensation product; Hirshfeld surface analysis
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