4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
The title compound, C20H19N5S, adopts a `contorted' conformation and the dihedral angle between the heterocyclic rings is 86.54 (6)°. In the crystal, complementary N—H...N hydrogen bonds form centrosymmetric dimers, which generate R22(14) loops. The dimers stack along the a-axis direction with...
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International Union of Crystallography
2017-02-01
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314617001845 |
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doaj-fdf8c9fd516d4115ba007a4fa836bc242020-11-25T00:17:52ZengInternational Union of CrystallographyIUCrData2414-31462017-02-0122x17018410.1107/S2414314617001845hb41204-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thioneJoel T. Mague0Shaaban K. Mohamed1Mehmet Akkurt2Adel A. Marzouk3Hamdy M. Abdel-Rahman4Farouq E. Hawaiz5Department of Chemistry, Tulane University, New Orleans, LA 70118, USAChemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyPharmaceutical Chemistry Department, Faculty of Pharmacy, Al Azhar University, 71515 Assiut, EgyptFaculty of Pharmacy, Medicinal Chemistry Department, Assiut University, Assiut 71526, EgyptChemistry Department, College of Education, Salahaddin University-Hawler, Erbil, Kurdistan Region, IraqThe title compound, C20H19N5S, adopts a `contorted' conformation and the dihedral angle between the heterocyclic rings is 86.54 (6)°. In the crystal, complementary N—H...N hydrogen bonds form centrosymmetric dimers, which generate R22(14) loops. The dimers stack along the a-axis direction with adjacent stacks having their aromatic rings directed towards one another.http://scripts.iucr.org/cgi-bin/paper?S2414314617001845crystal structurehydrogen bondpyrazoletriazoledimer |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Adel A. Marzouk Hamdy M. Abdel-Rahman Farouq E. Hawaiz |
| spellingShingle |
Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Adel A. Marzouk Hamdy M. Abdel-Rahman Farouq E. Hawaiz 4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione IUCrData crystal structure hydrogen bond pyrazole triazole dimer |
| author_facet |
Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Adel A. Marzouk Hamdy M. Abdel-Rahman Farouq E. Hawaiz |
| author_sort |
Joel T. Mague |
| title |
4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione |
| title_short |
4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione |
| title_full |
4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione |
| title_fullStr |
4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione |
| title_full_unstemmed |
4-(3-Methylphenyl)-3-[(3-methyl-5-phenyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione |
| title_sort |
4-(3-methylphenyl)-3-[(3-methyl-5-phenyl-1h-pyrazol-1-yl)methyl]-4,5-dihydro-1h-1,2,4-triazole-5-thione |
| publisher |
International Union of Crystallography |
| series |
IUCrData |
| issn |
2414-3146 |
| publishDate |
2017-02-01 |
| description |
The title compound, C20H19N5S, adopts a `contorted' conformation and the dihedral angle between the heterocyclic rings is 86.54 (6)°. In the crystal, complementary N—H...N hydrogen bonds form centrosymmetric dimers, which generate R22(14) loops. The dimers stack along the a-axis direction with adjacent stacks having their aromatic rings directed towards one another. |
| topic |
crystal structure hydrogen bond pyrazole triazole dimer |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2414314617001845 |
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