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Crystal structure of 5-butyl-amino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst.

ABSTRACT: The title compound, C14H18N4O, synthesized from an unconventional microwave-assisted method using caesium carbonate as catalyst, has an approximately planar conformation with the pyridyl and pyrazole rings inclined by a dihedral angle of 7.94?(3)°, allowing the formation of an intra-molecular N-H?N hydrogen bond. The supra-molecular assembly has a three-dimensional arrangement controlled mainly by weak C-H?O and C-H?? inter-actions.

SUBMITTER: Macias MA

PROVIDER: S-EPMC5095859 | biostudies-other | 2016 Nov

REPOSITORIES: biostudies-other

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Crystal structure of 5-butyl-amino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst.

Macías Mario A MA Orrego-Hernández Jessica J Portilla Jaime J

Acta crystallographica. Section E, Crystallographic communications 20161028 Pt 11

The title compound, C14H18N4O, synthesized from an unconventional microwave-assisted method using caesium carbonate as catalyst, has an approximately planar conformation with the pyridyl and pyrazole rings inclined by a dihedral angle of 7.94 (3)°, allowing the formation of an intra-molecular N-H⋯N hydrogen bond. The supra-molecular assembly has a three-dimensional arrangement controlled mainly by weak C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 27840734

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