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2-(4-Bromo­phenyl)-5-methyl-2,3-di­hydro-4H-1,2,4-triazol-3-one

✍ Scribed by Thamotharan, S. ;Parthasarathi, V. ;Hunnur, Raveendra K. ;Badami, Bharati ;Linden, Anthony

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
231 KB
Volume
59
Category
Article
ISSN
1600-5368

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In the title compound, C 9 H 9 ClN 4 O, the dihedral angle between the substituted phenyl and triazole rings is 4.86 (5) . In the crystalline state, the molecules exist as centrosymmetrically related NÐHÁ Á ÁO hydrogen-bonded dimers.

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Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.119 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

4-(3-Methyl­phenyl)-3,5-di-2-pyridyl-4H-
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.064 wR factor = 0.136 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The title compound, C 21 H 19 N 5 , has been synthesized and characterized by single-crystal X-ray diffraction. The dihedral angle between the benzene and triazole rings is 123.0 (5) . The triazole ring forms dihedral angles of 36.5 (5) and 50.1 (5) with the two pyridyl rings.