The title molecule, C 16 H 12 ClFN 4 O, contains three planar rings. The molecules are linked by an intermolecular hydrogen bond. The p-chlorophenyl and p-¯uorophenyl rings form dihedral angles of 61.2 (4) and 12.38 (10) , respectively, with the triazole ring.
4-(3-Bromobenzylideneamino)-3-(4-chlorobenzyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
✍ Scribed by Atalay, Şehriman ;Yavuz, Metin ;Kahveci, Bahittin ;Ağar, Erbil ;Şaşmaz, Selami
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 309 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 16 H 12 BrClN 4 O, contains two benzene rings and a triazole ring which is substituted at the 1,2,4positions. The crystal structure of (I) is stabilized by NÐ HÁ Á ÁO and %±% stacking interactions.
📜 SIMILAR VOLUMES
In the crystal structure of the title compound, C 16 H 13 N 4 OF, molecules are linked through intermolecular NÐHÁ Á ÁO hydrogen bonds to form dimers. The dimers are held together by van der Waals interactions.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.041 wR factor = 0.121 Data-to-parameter ratio = 14.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.062 wR factor = 0.205 Data-to-parameter ratio = 22.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.