Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclo-hexyl-1<i>H</i>-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1<i>H</i>)-one.

ABSTRACT: 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, C₂₀H₂₆N₆O₄ (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 π-π, C-H⋯O, C-H⋯N, N⋯C(π) and O⋯C(π) inter-actions. The contributions of different inter-actions towards the crystal packing were further analyzed using Hirshfeld surface and fingerprint plots.

SUBMITTER: Dutta A 

PROVIDER: S-EPMC11974335 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature