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 hy...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2024-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989023010794 |
| _version_ | 1797364712809168896 |
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| author | Nurlana D. Sadikhova Zeliha Atioğlu Narmina A. Guliyeva Alexandra G. Podrezova Eugeniya V. Nikitina Mehmet Akkurt Ajaya Bhattarai |
| author_facet | Nurlana D. Sadikhova Zeliha Atioğlu Narmina A. Guliyeva Alexandra G. Podrezova Eugeniya V. Nikitina Mehmet Akkurt Ajaya Bhattarai |
| author_sort | Nurlana D. Sadikhova |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-08T16:39:07Z |
| format | Article |
| id | doaj.art-5f484d1170394e9a8a9e3624d483f652 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-03-08T16:39:07Z |
| publishDate | 2024-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-5f484d1170394e9a8a9e3624d483f6522024-01-05T10:36:43ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902024-01-01801838710.1107/S2056989023010794jy2042Crystal 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-dicarboxylateNurlana D. Sadikhova0Zeliha Atioğlu1Narmina A. Guliyeva2Alexandra G. Podrezova3Eugeniya V. Nikitina4Mehmet Akkurt5Ajaya Bhattarai6Organic Chemistry Department, Baku State University, Az 1148 Baku, AzerbaijanDepartment of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, TürkiyeDepartment 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, Az-1010 Baku, AzerbaijanOrganic Chemistry Department, Faculty of Science, RUDN University, Miklukho-Maklaya St., 6, Moscow 117198, Russian FederationOrganic Chemistry Department, Faculty of Science, RUDN University, Miklukho-Maklaya St., 6, Moscow 117198, Russian FederationDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TürkiyeDepartment of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, NepalIn 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.http://scripts.iucr.org/cgi-bin/paper?S2056989023010794crystal structure(1r,4s)-7-oxabicyclo[2.2.1]hept-2-ene(1s,4s)-7-oxabicyclo[2.2.1]heptaneoxaneweak interactionshirshfeld surface analysis |
| spellingShingle | Nurlana D. Sadikhova Zeliha Atioğlu Narmina A. Guliyeva Alexandra G. Podrezova Eugeniya V. Nikitina Mehmet Akkurt Ajaya Bhattarai 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 crystal structure (1r,4s)-7-oxabicyclo[2.2.1]hept-2-ene (1s,4s)-7-oxabicyclo[2.2.1]heptane oxane weak interactions hirshfeld surface analysis |
| 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | crystal structure (1r,4s)-7-oxabicyclo[2.2.1]hept-2-ene (1s,4s)-7-oxabicyclo[2.2.1]heptane oxane weak interactions hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989023010794 |
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