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Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)meth­yl]-3-methyl­quinoxalin-2(1H)-one

The title compound, C(16)H(19)N(5)O, is built up from a planar quinoxalinone ring system linked through a methyl­ene bridge to a 1,2,3-triazole ring, which in turn carries an n-butyl substituent. The triazole ring is inclined by 67.09 (4)° to the quinoxalinone ring plane. In the crystal, the mol­ecu...

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Detalles Bibliográficos
Autores principales: Abad, Nadeem, Ramli, Youssef, Hökelek, Tuncer, Sebbar, Nada Kheira, Mague, Joel T., Essassi, El Mokhtar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281099/
https://www.ncbi.nlm.nih.gov/pubmed/30574380
http://dx.doi.org/10.1107/S205698901801589X
Descripción
Sumario:The title compound, C(16)H(19)N(5)O, is built up from a planar quinoxalinone ring system linked through a methyl­ene bridge to a 1,2,3-triazole ring, which in turn carries an n-butyl substituent. The triazole ring is inclined by 67.09 (4)° to the quinoxalinone ring plane. In the crystal, the mol­ecules form oblique stacks along the a-axis direction through inter­molecular C—H(Trz)⋯N(Trz) (Trz = triazole) hydrogen bonds, and offset π-stacking inter­actions between quinoxalinone rings [centroid–centroid distance = 3.9107 (9) Å] and π–π inter­actions, which are associated pairwise by inversion-related C—H(Dhydqn)⋯π(ring) (Dhydqn = di­hydro­quinoxaline) inter­actions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (52.7%), H⋯N/N⋯H (18.9%) and H⋯C/C⋯H (17.0%) inter­actions.