Cargando…

N-(6-Meth­oxy­pyridin-2-yl)-1-(pyridin-2-ylmeth­yl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

The title compound, C(16)H(15)N(5)O(2), adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5)°; the dihedral angles between the central pyrazolyl ring (r.m.s. deviation = 0.0023 Å) and the methyl­ene-bound pyridyl and methyoxypyridyl rings are 77.68...

Descripción completa

Detalles Bibliográficos
Autores principales: Ramani, Vivek C., Shah, Rina D., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127692/
https://www.ncbi.nlm.nih.gov/pubmed/30225111
http://dx.doi.org/10.1107/S2056989018011477
Descripción
Sumario:The title compound, C(16)H(15)N(5)O(2), adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5)°; the dihedral angles between the central pyrazolyl ring (r.m.s. deviation = 0.0023 Å) and the methyl­ene-bound pyridyl and methyoxypyridyl rings are 77.68 (5) and 7.84 (10)°, respectively. Intra­molecular amide-N—H⋯N(pyrazol­yl) and pyridyl-C—H⋯O(amide) inter­actions are evident and these preclude the participation of the amide-N—H and O atoms in inter­molecular inter­actions. The most notable feature of the mol­ecular packing is the formation of linear supra­molecular chains aligned along the b-axis direction mediated by weak carbonyl-C=O⋯π(triazol­yl) inter­actions. An analysis of the calculated Hirshfeld surfaces point to the importance of H⋯H (46.4%), C⋯H (22.4%), O⋯H (11.9%) and N⋯H (11.1%) contacts in the crystal.