Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1H)-one
The crystal structure of 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1H)-one, C20H26N6O4 (I), was characterized by single-crystal X-ray diffraction. The primary focus was to establish the position of the nitro group, the molecular conformation, and the role of intermole...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-04-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989025001793 |
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| Summary: | The crystal structure of 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1H)-one, C20H26N6O4 (I), was characterized by single-crystal X-ray diffraction. The primary focus was to establish the position of the nitro group, the molecular conformation, and the role of intermolecular interactions towards the crystal packing of I. The crystalline structure is mainly consolidated by π–π, C—H...O, C—H...N, N...C(π) and O...C(π) interactions. The contributions of different interactions towards the crystal packing were further analyzed using Hirshfeld surface and fingerprint plots. |
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| ISSN: | 2056-9890 |