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

In the title compound, C 18 H 22 O 7 , 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....

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Published inActa crystallographica. Section E, Crystallographic communications Vol. 80; no. 1; pp. 83 - 87
Main Authors Sadikhova, Nurlana D., Atioğlu, Zeliha, Guliyeva, Narmina A., Podrezova, Alexandra G., Nikitina, Eugeniya V., Akkurt, Mehmet, Bhattarai, Ajaya
Format Journal Article
LanguageEnglish
Published 01.01.2024
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Abstract In the title compound, C 18 H 22 O 7 , 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.
AbstractList In the title compound, C 18 H 22 O 7 , 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.
Author Sadikhova, Nurlana D.
Atioğlu, Zeliha
Nikitina, Eugeniya V.
Akkurt, Mehmet
Bhattarai, Ajaya
Podrezova, Alexandra G.
Guliyeva, Narmina A.
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Snippet In the title compound, C 18 H 22 O 7 , two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation,...
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Title Crystal structure and Hirshfeld surface analysis of diethyl (3a S ,3 a 1 R ,4 S ,5 S ,6 R ,6a S ,7 R ,9a S )-3a1,5,6,6a-tetrahydro-1 H ,3 H ,4 H ,7 H -3a,6:7,9a-diepoxybenzo[ de ]isochromene-4,5-dicarboxylate
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