The title compound, C 20 H 14 N 12 S 2 , was synthesized by the reaction of 3-hydrazino-1H-1,2,4-triazole with phenyl isocyanate in benzene and by ring closure in an alkaline medium. Intermolecular N-HÁ Á ÁN hydrogen bonds are observed and these form a five-membered ring.
4-[3-(1H-Imidazol-1-yl)propyl]-3-phenyl-1H-1,2,4-triazol-5(4H)-one
✍ Scribed by Kalkan, Hüseyin ;Ustabaş, Reşat ;Sancak, Kemal ;Ünver, Yasemin ;Vázquez-López, Ezequiel M.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 134 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C 12 H 12 N 6 O 2 S, the thiophene ring is disordered equally over two positions, corresponding to rotation of approximately 180 about the C-C single bond. The central triazole ring has substituents at the 1-, 3-, 4-and 5positions. Intermolecular C-HÁ Á ÁN and C-HÁ Á ÁO intera
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 19 H 19 N 3 O, the five-membered imidazolone ring is essentially planar. Intermolecular N-HÁ Á ÁO hydrogen bonds form an infinite chain. The C-N and C-C bond lengths indicate electron delocalization.