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
Atıf İçin Kopyala
Sadikhova N. D., Atioǧlu Z., Guliyeva N. A., Podrezova A. G., Nikitina E. V., AKKURT M., ...Daha Fazla
Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 1, ss.83-87, 2024 (ESCI)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
80
Sayı:
Pt 1
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Basım Tarihi:
2024
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Doi Numarası:
10.1107/s2056989023010794
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Dergi Adı:
Acta Crystallographica Section E: Crystallographic Communications
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Derginin Tarandığı İndeksler:
Emerging Sources Citation Index (ESCI), Scopus
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Sayfa Sayıları:
ss.83-87
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Anahtar Kelimeler:
(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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Erciyes Üniversitesi Adresli:
Evet
Özet
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.