6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide

In the title compound, C13H12N6O, the pyrazolo[3,4-b]pyrazine ring system is planar (r.m.s. deviation for the nine fitted atoms = 0.024 Å) and makes a dihedral angle of 5.72 (6)° with the pendent phenyl ring. The molecular conformation is stabilized by intramolecular N—H...O and C—H...N hydrogen bon...

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Main Authors:	Manpreet Kaur, Shaaban K. Mohamed, Mehmet Akkurt, Jerry P. Jasinski, Talaat I. El-Emary, Mustafa R. Albayati
Format:	Article
Language:	English
Published:	International Union of Crystallography 2016-11-01
Series:	IUCrData
Subjects:	crystal structure 1H-pyrazole pyrazine 1H-pyrazolo[3,4-b]pyrazine
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2414314616017429

id	doaj-eddeececc95b4edc814edfeeebceed9b
record_format	Article
spelling	doaj-eddeececc95b4edc814edfeeebceed9b2020-11-24T23:49:21ZengInternational Union of CrystallographyIUCrData2414-31462016-11-01111x16174210.1107/S2414314616017429tk40246-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamideManpreet Kaur0Shaaban K. Mohamed1Mehmet Akkurt2Jerry P. Jasinski3Talaat I. El-Emary4Mustafa R. Albayati5Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USAChemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyDepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USADepartment of Chemistry, Faculty of Science, Assiut University, 71515 Assiut, EgyptKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqIn the title compound, C13H12N6O, the pyrazolo[3,4-b]pyrazine ring system is planar (r.m.s. deviation for the nine fitted atoms = 0.024 Å) and makes a dihedral angle of 5.72 (6)° with the pendent phenyl ring. The molecular conformation is stabilized by intramolecular N—H...O and C—H...N hydrogen bonds, each generating an S(6) loop. In the crystal, pairs of molecules are connected into inversion dimers by strong N—H...O hydrogen bonds, forming R22(8) ring motifs. These are linked into sheets parallel to (100) via N—H...N hydrogen bonds; π–π interactions between symmetry-related pyrazole and phenyl rings [centroid–centroid distances = 3.4453 (9) Å] within the sheets are also noted.http://scripts.iucr.org/cgi-bin/paper?S2414314616017429crystal structure1H-pyrazolepyrazine1H-pyrazolo[3,4-b]pyrazine
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Manpreet Kaur Shaaban K. Mohamed Mehmet Akkurt Jerry P. Jasinski Talaat I. El-Emary Mustafa R. Albayati
spellingShingle	Manpreet Kaur Shaaban K. Mohamed Mehmet Akkurt Jerry P. Jasinski Talaat I. El-Emary Mustafa R. Albayati 6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide IUCrData crystal structure 1H-pyrazole pyrazine 1H-pyrazolo[3,4-b]pyrazine
author_facet	Manpreet Kaur Shaaban K. Mohamed Mehmet Akkurt Jerry P. Jasinski Talaat I. El-Emary Mustafa R. Albayati
author_sort	Manpreet Kaur
title	6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide
title_short	6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide
title_full	6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide
title_fullStr	6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide
title_full_unstemmed	6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide
title_sort	6-amino-3-methyl-1-phenyl-1h-pyrazolo[3,4-b]pyrazine-5-carboxamide
publisher	International Union of Crystallography
series	IUCrData
issn	2414-3146
publishDate	2016-11-01
description	In the title compound, C13H12N6O, the pyrazolo[3,4-b]pyrazine ring system is planar (r.m.s. deviation for the nine fitted atoms = 0.024 Å) and makes a dihedral angle of 5.72 (6)° with the pendent phenyl ring. The molecular conformation is stabilized by intramolecular N—H...O and C—H...N hydrogen bonds, each generating an S(6) loop. In the crystal, pairs of molecules are connected into inversion dimers by strong N—H...O hydrogen bonds, forming R22(8) ring motifs. These are linked into sheets parallel to (100) via N—H...N hydrogen bonds; π–π interactions between symmetry-related pyrazole and phenyl rings [centroid–centroid distances = 3.4453 (9) Å] within the sheets are also noted.
topic	crystal structure 1H-pyrazole pyrazine 1H-pyrazolo[3,4-b]pyrazine
url	http://scripts.iucr.org/cgi-bin/paper?S2414314616017429
work_keys_str_mv	AT manpreetkaur 6amino3methyl1phenyl1hpyrazolo34bpyrazine5carboxamide AT shaabankmohamed 6amino3methyl1phenyl1hpyrazolo34bpyrazine5carboxamide AT mehmetakkurt 6amino3methyl1phenyl1hpyrazolo34bpyrazine5carboxamide AT jerrypjasinski 6amino3methyl1phenyl1hpyrazolo34bpyrazine5carboxamide AT talaatielemary 6amino3methyl1phenyl1hpyrazolo34bpyrazine5carboxamide AT mustafaralbayati 6amino3methyl1phenyl1hpyrazolo34bpyrazine5carboxamide
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6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide

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