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volume 80
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issue 1
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pages 83-87
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
Publication type: Journal Article
Publication date: 2024-01-01
scimago Q4
wos Q4
SJR: 0.197
CiteScore: 1.2
Impact factor: 0.6
ISSN: 20569890
PubMed ID:
38312154
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
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.
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Sadikhova N. D. et al. 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 // Acta Crystallographica Section E: Crystallographic Communications. 2024. Vol. 80. No. 1. pp. 83-87.
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Sadikhova N. D., Atioğlu Z., Guliyeva N. A., Podrezova A. G., Nikitina E. V., Akkurt M., Bhattarai A. 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 // Acta Crystallographica Section E: Crystallographic Communications. 2024. Vol. 80. No. 1. pp. 83-87.
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TY - JOUR
DO - 10.1107/s2056989023010794
UR - https://doi.org/10.1107/s2056989023010794
TI - 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
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Sadikhova, Nurlana D.
AU - Atioğlu, Zeliha
AU - Guliyeva, Narmina A.
AU - Podrezova, Alexandra G
AU - Nikitina, Eugeniya V.
AU - Akkurt, Mehmet
AU - Bhattarai, Ajaya
PY - 2024
DA - 2024/01/01
PB - International Union of Crystallography (IUCr)
SP - 83-87
IS - 1
VL - 80
PMID - 38312154
SN - 2056-9890
ER -
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@article{2024_Sadikhova,
author = {Nurlana D. Sadikhova and Zeliha Atioğlu and Narmina A. Guliyeva and Alexandra G Podrezova and Eugeniya V. Nikitina and Mehmet Akkurt and Ajaya Bhattarai},
title = {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},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2024},
volume = {80},
publisher = {International Union of Crystallography (IUCr)},
month = {jan},
url = {https://doi.org/10.1107/s2056989023010794},
number = {1},
pages = {83--87},
doi = {10.1107/s2056989023010794}
}
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Sadikhova, Nurlana D., et al. “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.” Acta Crystallographica Section E: Crystallographic Communications, vol. 80, no. 1, Jan. 2024, pp. 83-87. https://doi.org/10.1107/s2056989023010794.
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