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

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 intramolecular N—H...N...

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Main Authors:	Mario A. Macías, Jessica Orrego-Hernández, Jaime Portilla
Format:	Article
Language:	English
Published:	International Union of Crystallography 2016-11-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure pharmaceutical compound 5-aminopyrazoles nucleophilic substitution hydrogen bonding
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989016017187

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spelling	doaj-28bb0c2b5ce342abb4376c18819f22df2020-11-24T22:56:49ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902016-11-0172111672167410.1107/S2056989016017187bg2597Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalystMario A. Macías0Jessica Orrego-Hernández1Jaime Portilla2Department of Chemistry, Universidad de los Andes, Carrera 1 No. 18A 10, Bogotá, ColombiaBioorganic Compounds Research Group, Department of Chemistry, Universidad de los Andes, Carrera 1 No. 18A 10, Bogotá, ColombiaBioorganic Compounds Research Group, Department of Chemistry, Universidad de los Andes, Carrera 1 No. 18A 10, Bogotá, ColombiaThe 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 intramolecular N—H...N hydrogen bond. The supramolecular assembly has a three-dimensional arrangement controlled mainly by weak C—H...O and C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S2056989016017187crystal structurepharmaceutical compound5-aminopyrazolesnucleophilic substitutionhydrogen bonding
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Mario A. Macías Jessica Orrego-Hernández Jaime Portilla
spellingShingle	Mario A. Macías Jessica Orrego-Hernández Jaime Portilla Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst Acta Crystallographica Section E: Crystallographic Communications crystal structure pharmaceutical compound 5-aminopyrazoles nucleophilic substitution hydrogen bonding
author_facet	Mario A. Macías Jessica Orrego-Hernández Jaime Portilla
author_sort	Mario A. Macías
title	Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst
title_short	Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst
title_full	Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst
title_fullStr	Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst
title_full_unstemmed	Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst
title_sort	crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1h-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2016-11-01
description	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 intramolecular N—H...N hydrogen bond. The supramolecular assembly has a three-dimensional arrangement controlled mainly by weak C—H...O and C—H...π interactions.
topic	crystal structure pharmaceutical compound 5-aminopyrazoles nucleophilic substitution hydrogen bonding
url	http://scripts.iucr.org/cgi-bin/paper?S2056989016017187
work_keys_str_mv	AT marioamacias crystalstructureof5butylamino3methyl1pyridin2yl1hpyrazole4carbaldehydeobtainedfromamicrowaveassistedreactionusingcaesiumcarbonateascatalyst AT jessicaorregohernandez crystalstructureof5butylamino3methyl1pyridin2yl1hpyrazole4carbaldehydeobtainedfromamicrowaveassistedreactionusingcaesiumcarbonateascatalyst AT jaimeportilla crystalstructureof5butylamino3methyl1pyridin2yl1hpyrazole4carbaldehydeobtainedfromamicrowaveassistedreactionusingcaesiumcarbonateascatalyst
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Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst

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