1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
In the molecule of the title compound, C10H9N3O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, intermolecular C—H...O and C—H...N hydrogen bonds link the molecules. There are...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2008-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808023258 |
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doaj-2b74a1acf3354f3e923608db45ce457b2020-11-24T21:30:37ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-08-01648o1604o160410.1107/S16005368080232581-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanoneÖzden Özel GüvenHakan TahtacıSimon J. ColesTuncer HökelekIn the molecule of the title compound, C10H9N3O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, intermolecular C—H...O and C—H...N hydrogen bonds link the molecules. There are C—H...π contacts between the 1,2,4-triazole rings, and between the phenyl and 1,2,4-triazole rings, and there is a weak π–π contact between the 1,2,4-triazole and phenyl rings [centroid-to-centroid distance = 4.547 (1) Å].http://scripts.iucr.org/cgi-bin/paper?S1600536808023258 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Özden Özel Güven Hakan Tahtacı Simon J. Coles Tuncer Hökelek |
| spellingShingle |
Özden Özel Güven Hakan Tahtacı Simon J. Coles Tuncer Hökelek 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone Acta Crystallographica Section E |
| author_facet |
Özden Özel Güven Hakan Tahtacı Simon J. Coles Tuncer Hökelek |
| author_sort |
Özden Özel Güven |
| title |
1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone |
| title_short |
1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone |
| title_full |
1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone |
| title_fullStr |
1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone |
| title_full_unstemmed |
1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone |
| title_sort |
1-phenyl-2-(1h-1,2,4-triazol-1-yl)ethanone |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2008-08-01 |
| description |
In the molecule of the title compound, C10H9N3O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, intermolecular C—H...O and C—H...N hydrogen bonds link the molecules. There are C—H...π contacts between the 1,2,4-triazole rings, and between the phenyl and 1,2,4-triazole rings, and there is a weak π–π contact between the 1,2,4-triazole and phenyl rings [centroid-to-centroid distance = 4.547 (1) Å]. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536808023258 |
| work_keys_str_mv |
AT 214zden214zelg252ven 1phenyl21h124triazol1ylethanone AT hakantahtac305 1phenyl21h124triazol1ylethanone AT simonjcoles 1phenyl21h124triazol1ylethanone AT tuncerh246kelek 1phenyl21h124triazol1ylethanone |
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1725962550268395520 |