Crystal structure and Hirshfeld surface analysis of (22RS,23SR,25RS,26SR)-23,25,5-trimethyl-21-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-24-one

The title compound, C20H21F3N2O4, features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)̊. The dihedral angle between the furan rings is 42.55 (7)̊. The six-membered nitrogen heterocycle has a twist-boat conformation. In the crystal, pairs of molecules are connected by intermolecular C—H. . .O interactions, generating an R22(14) ring motif. These pairs of molecules form zigzag chains along the a-axis direction by means of C—H. . .F interactions. Furthermore, C—H. . .π and C–F. . .π interactions link the molecules into chains along the b-axis direction, forming sheets parallel to the (001) plane. These sheets are also connected by van der Waals interactions. © 2023 International Union of Crystallography. All rights reserved.

Авторы
Yıldırım S.Ö. , Akkurt M. , Ershova A.A. , Grigoriev M.S. , Rocha B.G.M. , Bhattarai A.
Издательство
International Union of Crystallography
Номер выпуска
Pt 4
Язык
Английский
Страницы
292-296
Статус
Опубликовано
Том
79
Год
2023
Организации
  • 1 Department of Physics, Faculty of Science, Eskisehir Technical University, Yunus Emre Campus, Eskisehir, 26470, Turkey
  • 2 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 3 Peoples’ Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., Moscow, 117198, Russian Federation
  • 4 Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences (IPCE RAS), 31 Bldg 4, Leninsky prosp., Moscow, 119071, Russian Federation
  • 5 Centro de Química Estrutural, Institute of Molecular Sciences, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, Lisboa, 1049-001, Portugal
  • 6 Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal
Ключевые слова
alkylation; crystal structure; furan; Hirshfeld surface analysis; Mannich reaction; piperidon; twelve-membered heterocycles
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