Crystal structure, Hirshfeld surface analysis and computational studies of (E)-2,2-dimethyl-4-styryl-2,3-dihydro-1H-benzo[b][1,4]diazepine

Autor: Odame, F., Madanhire, T., Hosten, E., Lobb, K.
Jazyk: angličtina
Rok vydání: 2023
Předmět:
DOI: 10.48317/imist.prsm/morjchem-v11i3.40773
Popis: The crystal structure, Hirshfeld surface analysis, and computational studies of (E)-2,2-dimethyl-4-styryl-2,3-dihydro-1H-benzo[b][1,4]diazepine have been presented. The compound crystallized in the monoclinic space group P21/c with 8 molecules in it unit cell. A comparison of the experimental and computed bond lengths and bond angles showed good agreement among the results with varying deviations from each other. A discussion of the Hirshfeld surface analysis of the compound have been carried out to provide insight into the structural properties of the compound.
Moroccan Journal of Chemistry, Vol. 11, No 3 (2023): In Progress
Databáze: OpenAIRE