4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis

4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis

The title compound, C12H10N4O, comprises a central 1,2,3-triazole ring (r.m.s. deviation = 0.0030 Å) flanked by N-bound 4-cyanophenyl and C-bound acetyl groups, which make dihedral angles of 54.64 (5) and 6.8 (3)° with the five-membered ring, indicating a twisted molecule. In the crystal, the three-...

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Bibliographic Details
Main Authors: Julio Zukerman-Schpector, Cássio da S. Dias, Ricardo S. Schwab, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2018-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
1,2,3-triazol-1-yl
nitrile
Hirshfeld surface analysis
NCI plots
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018010885

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http://scripts.iucr.org/cgi-bin/paper?S2056989018010885

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