Crystal structure and Hirshfeld surface analysis of diethyl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetrahydro-1H,3H,4H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-4,5-dicarboxylate

In the title compound, C18H22O7, two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetrahydrofuran and dihydrofuran rings adopt envelope conformations. The oxane ring is puckered. The crystal structure features C - H⋯O hydrogen bonds, which link the molecules into a three-dimensional network. According to a Hirshfeld surface study, H⋯H (60.3%) and O⋯H/H⋯O (35.3%) interactions are the most significant contributors to the crystal packing. © 2024 International Union of Crystallography. All rights reserved.

Авторы
Sadikhova N.D. , Atioǧlu Z. , Guliyeva N.A. , Podrezova A.G. , Nikitina E.V. , Akkurt M. , Bhattarai A.
Издательство
International Union of Crystallography
Номер выпуска
Pt 1
Язык
Английский
Страницы
83-87
Статус
Опубликовано
Том
80
Год
2024
Организации
  • 1 Organic Chemistry Department, Baku State University, Baku, Az 1148, Azerbaijan
  • 2 Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, Ürgüp, Nevşehir, 50420, Turkey
  • 3 Department of Organic Substances and Technology of High-Molecular Compounds, SRI 'Geotechnological Problems of Oil, Gas and Chemistry, Azerbaijan State Oil and Industry University, Azadlig ave. 20, Baku, Az-1010, Azerbaijan
  • 4 Organic Chemistry Department, Faculty of Science, RUDN University, Miklukho-Maklaya St., 6, Moscow, 117198, Russian Federation
  • 5 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 6 Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal
Ключевые слова
(1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene; (1S,4S)-7-oxabicyclo[2.2.1]heptane; crystal structure; Hirshfeld surface analysis; oxane; weak interactions
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