Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1H-indazole

Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1H-indazole

The asymmetric unit of the title compound, C14H11N3O3, consists of two independent molecules having very similar conformations in which the indazole moieties are planar. The independent molecules are distinguished by small differences in the rotational orientations of the nitro groups. In the crysta...

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Bibliographic Details
Main Authors: Ali Ben-Yahia, Youness El Bakri, Chin-Hung Lai, El Mokhtar Essassi, Joel T. Mague
Format: Article
Language:English
Published: International Union of Crystallography 2018-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
indazole
hydrogen bonds
π-stacking
Online Access:http://scripts.iucr.org/cgi-bin/paper?S205698901801647X

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http://scripts.iucr.org/cgi-bin/paper?S205698901801647X

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