Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1H-benzimidazole

Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1H-benzimidazole

In the title molecule, C13H13N3O, the isoxazole ring is inclined to the benzimidazole ring at a dihedral angle of 69.28 (14)°. In the crystal, N—H...N hydrogen bonds between neighboring benzimidazole rings form chains along the a-axis direction. Hirshfeld surface analysis indicates that the most imp...

Full description

Bibliographic Details
Main Authors: Ahlam Idrissi, Karim Chkirate, Nadeem Abad, Bahia Djerrari, Redouane Achour, El Mokhtar Essassi, Luc Van Meervelt
Format: Article
Language:English
Published: International Union of Crystallography 2021-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
density functional theory
benzimidazole
hydrogen bond
hirshfeld surface analysis
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021002723

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989021002723

Similar Items