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Ethyl (1-methyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate

✍ Scribed by Kruszynski, Rafal ;Trzesowska, Agata ;Przybycin, Magdalena ;Dopieralski, Mariusz ;Dobosz, Maria

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
438 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

All interatomic distances in the title compound, C~13~H~15~N~3~O~2~S, are normal. The 1,2,4-triazole ring is planar and is inclined at 46.50 (6)° to the phenyl ring. The ethoxycarbonylmethyl group is also close to being planar and is inclined at 87.54 (9)° to the 1,2,4-triazole ring. The crystal was an inversion twin with a twin ratio 0.88 (3):0.12 (3).

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2-(3-Methyl-5-thioxo-4,5-dihydro-1H-1,2,
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✍ Jing, Heng ;Zhu, Hong-Jun ;Liu, Shan ;Zheng, Wei ;Wu, Ya-Ming 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 131 KB

In the molecule of the title compound, C 9 H 9 N 3 O, the dihedral angle between the planar rings is 7.49 (3) . In the crystal structure, intermolecular N-HÁ Á ÁO hydrogen bonds link the molecules into dimers, which may be effective in the stabilization of the crystal structure.