Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclohexyl-1 H -tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1 H )-one
Year: 2025
Type: article
Abstract: The crystal structure of 6-[4-(1-cyclohexyl-1 H -tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1 H )-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 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.
Authors: Arnab Dutta, Yogesh Dhasmana, T. P. Mohan, B. Selvakumar, Deepak Chopra
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W4408153478