Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
The title compound, C10H9FN4S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H...S hydrogen bond, which clos...
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International Union of Crystallography
2015-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015020125 |
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doaj-7cf4f72302f249249a0907cf321d25f52020-11-25T00:24:14ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-12-017112o912o91310.1107/S2056989015020125hb7528Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thioneP. S. Manjula0B. K. Sarojini1B. Narayana2K. Byrappa3S. Madan Kumar4Department of Chemistry, P A College of Engineering, Nadupadavu 574 153, D.K., Mangaluru, IndiaDepartment of Industrial Chemistry, Mangalagangotri, Mangalore University, Mangaluru 574 199, IndiaDepartment of Chemistry, Mangalagangotri, Mangalore University, Mangaluru 574 199, IndiaDepartment of Materials Science, Mangalagangotri, Mangalore University, Mangaluru 574 199, IndiaPURSE Lab, Mangalagangotri, Mangalore University, Mangaluru 574 199, IndiaThe title compound, C10H9FN4S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H...S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H...S hydrogen bonds occur, generating R22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed.http://scripts.iucr.org/cgi-bin/paper?S2056989015020125crystal structure1,2,4-triazole-5(4H)-thionefluorobenzeneC—H...S hydrogen bondN—H...S hydrogen bondπ–π stacking contacts |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
P. S. Manjula B. K. Sarojini B. Narayana K. Byrappa S. Madan Kumar |
| spellingShingle |
P. S. Manjula B. K. Sarojini B. Narayana K. Byrappa S. Madan Kumar Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione Acta Crystallographica Section E: Crystallographic Communications crystal structure 1,2,4-triazole-5(4H)-thione fluorobenzene C—H...S hydrogen bond N—H...S hydrogen bond π–π stacking contacts |
| author_facet |
P. S. Manjula B. K. Sarojini B. Narayana K. Byrappa S. Madan Kumar |
| author_sort |
P. S. Manjula |
| title |
Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_short |
Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_full |
Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_fullStr |
Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_full_unstemmed |
Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_sort |
crystal structure of 4-[(e)-(4-fluorobenzylidene)amino]-3-methyl-1h-1,2,4-triazole-5(4h)-thione |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E: Crystallographic Communications |
| issn |
2056-9890 |
| publishDate |
2015-12-01 |
| description |
The title compound, C10H9FN4S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H...S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H...S hydrogen bonds occur, generating R22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed. |
| topic |
crystal structure 1,2,4-triazole-5(4H)-thione fluorobenzene C—H...S hydrogen bond N—H...S hydrogen bond π–π stacking contacts |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2056989015020125 |
| work_keys_str_mv |
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