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1-Methyl-3,5-di­phenyl-1H-1,2,4-triazole

✍ Scribed by Yazıcı, Serap ;Işık, Şamil ;Ağar, Erbil ;Karaoğlu, Şengül Alpay ;Bekircan, Olcay ;Kolaylı, Sevgi ;Şenel, İsmet ;Büyükgüngör, Orhan

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
191 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.051 wR factor = 0.141 Data-to-parameter ratio = 14.9

For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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4-(3-Methyl­phenyl)-3,5-di-2-pyridyl-4H-
4-(3-Methyl­phenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole
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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.

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✍ Thamotharan, S. ;Parthasarathi, V. ;Kavali, Jyoti R. ;Badami, Bharati ;Schenk, K 📂 Article 📅 2003 🏛 International Union of Crystallography 🌐 English ⚖ 266 KB

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.