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2,2-Dimethyl-5-(4H-1,2,4-triazol-4-ylamino­methyl­ene)-1,3-dioxane-4,6-dione monohydrate

✍ Scribed by Joussef, Antonio C. ;Silva, Luiz Everson da ;Bortoluzzi, Adailton J. ;Foro, Sabine

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
176 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis

In the title compound, C 9 H 10 N 4 O 4 ÁH 2 O, the triazole ring is nearly planar. The 1,3-dioxane-4,6-dione ring exhibits a halfchair conformation. Two intramolecular N-HÁ Á ÁÁO hydrogen bonds, with OÁ Á ÁH distances of 2.23 (2) and 1.99 (2) A ˚, and two intermolecular O-HÁ Á ÁÁN hydrogen bonds, with NÁ Á ÁH distances of 1.92 (3) and 1.94 (4) A ˚, are observed.

📜 SIMILAR VOLUMES

2,2-Dimethyl-5-[(1,2,4-triazin-3-ylamino
2,2-Dimethyl-5-[(1,2,4-triazin-3-ylamino)methyl­ene]-1,3-dioxane-4,6-dione
✍ Joussef, Antonio C. ;Silva, Luiz Everson da ;Bortoluzzi, Adailton J. ;Foro, Sabi 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 206 KB

In the title compound, C 10 H 10 N 4 O 4 , the triazine ring is nearly planar. The 1,3-dioxane-4,6-dione ring exhibits a half-chair conformation. The molecule is disordered and the structure has been refined using a split model.