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, C(13)H(13)N(3)O, 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 mos...

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Bibliografiske detaljer
Udgivet i:Acta Crystallogr E Crystallogr Commun
Main Authors: Idrissi, Ahlam, Chkirate, Karim, Abad, Nadeem, Djerrari, Bahia, Achour, Redouane, Essassi, El Mokhtar, Van Meervelt, Luc
Format: Artigo
Sprog:Inglês
Udgivet: International Union of Crystallography 2021
Fag:
Research Communications
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8025869/
https://ncbi.nlm.nih.gov/pubmed/33936764
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989021002723
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