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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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-11-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616017429 |
| _version_ | 1819116933426970624 |
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| author | Manpreet Kaur Shaaban K. Mohamed Mehmet Akkurt Jerry P. Jasinski Talaat I. El-Emary Mustafa R. Albayati |
| author_facet | Manpreet Kaur Shaaban K. Mohamed Mehmet Akkurt Jerry P. Jasinski Talaat I. El-Emary Mustafa R. Albayati |
| author_sort | Manpreet Kaur |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-22T05:24:57Z |
| format | Article |
| id | doaj.art-eddeececc95b4edc814edfeeebceed9b |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-22T05:24:57Z |
| publishDate | 2016-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-eddeececc95b4edc814edfeeebceed9b2022-12-21T18:37:37ZengInternational 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 |
| 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 |
| title | 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_short | 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 |
| topic | crystal structure 1H-pyrazole pyrazine 1H-pyrazolo[3,4-b]pyrazine |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616017429 |
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