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DFT Calculations on the Molecular Structure, Vibrational and Chemical Shift Assignments of 4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione

✍ Scribed by Davut Avcı; Yusuf Atalay; Hüseyin Cömert; Muharrem Dinçer


Book ID
107702074
Publisher
Springer-Verlag
Year
2011
Tongue
English
Weight
692 KB
Volume
36
Category
Article
ISSN
1319-8025

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4-All­yl-2-(morpholin-4-ylmeth­yl)-5-(py
✍ Dinçer, Muharrem ;Özdemir, Namık ;Dege, Necmi ;Çetin, Ahmet ;Cansız, Ahmet ;Şeke 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 165 KB

In the title compound, C 15 H 19 N 5 OS, the morpholine ring adopts a chair conformation. The mean plane of the pyridine ring makes a dihedral angle of 35.16 (7) with the triazole ring plane.