Methyl 3-[(1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry

Methyl 3-[(1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry

The title compound, C20H20N4O3, is constructed about a tri-substituted 1,2,3-triazole ring, with the substituent at one C atom flanked by the C and N atoms being a substituted amide group, and with the adjacent C and N atoms bearing phenyl and benzyl groups, respectively; the dihedral angle between...

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Bibliographic Details
Main Authors: Ignez Caracelli, Julio Zukerman-Schpector, Huey Chong Kwong, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2020-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
1,2,3-triazole
hirshfeld surface analysis
computational chemistry
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020007380

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http://scripts.iucr.org/cgi-bin/paper?S2056989020007380

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