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Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole

In the title molecule, C(20)H(21)N(3)O(3), the allyl substituent is rotated out of the plane of its attached phenyl ring [torsion angle 100.66 (15)°]. In the crystal, C—H(Mthphn)⋯O(Mthphn) (Mthphn = methoxyphenyl) hydrogen bonds lead to the formation of (100) layers that are connected into a thr...

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Detalles Bibliográficos
Autores principales:	Taia, Abdelmaoujoud, Essaber, Mohamed, Aatif, Abdeljalil, Chkirate, Karim, Hökelek, Tuncer, Mague, Joel T., Sebbar, Nada Kheira
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2020
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273996/ https://www.ncbi.nlm.nih.gov/pubmed/32523773 http://dx.doi.org/10.1107/S2056989020006994

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