The crystal structure of 6-[4-(1-cyclo-hexyl-1H-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1H)-one, C(20)H(26)N(6)O(4) (I), was characterized by single-crystal X-ray diffraction. The primary focus was to establish the position of the nitro group, the mol-ecular conformation, and the role of inter-molecular inter-actions towards the crystal packing of I. The crystalline structure is mainly consolidated by Ï-Ï, C-Hâ¯O, C-Hâ¯N, Nâ¯C(Ï) and Oâ¯C(Ï) inter-actions. The contributions of different inter-actions towards the crystal packing were further analyzed using Hirshfeld surface and fingerprint plots.
Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclo-hexyl-1H-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1H)-one.
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作者:Dutta Arnab, Dhasmana Yogesh, Mohan T P, Selvakumar B, Chopra Deepak
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2025 | 起止号: | 2025 Mar 4; 81(Pt 4):284-288 |
| doi: | 10.1107/S2056989025001793 | ||
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