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3-(3-Hydroxy­propyl)-6-(p-tolyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]­thia­diazine dihydrate

✍ Scribed by Zou, Kai-Huang ;Cai, Xiao-Qing ;Chen, Jiu-Xi ;Zhang, Li-Xue ;Zhang, An-Jiang ;Hu, Mao-Lin

Book ID
104482534
Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
263 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.072 wR factor = 0.157 Data-to-parameter ratio = 13.7

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

📜 SIMILAR VOLUMES

6-(4-Fluoro­phen­yl)-3-propyl-7H-1,2,4-t
6-(4-Fluoro­phen­yl)-3-propyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazine
✍ Zhang, Li-Xue ;Jin, Jian-Yu ;Zhou, San-Nu ;Xiao, Hong-Ping ;Zhang, An-Jiang 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 131 KB

The title compound, C 13 H 13 FN 4 S,was prepared by the reaction of 4-amino-5-mercapto-3-propyl-1,2,4-triazole and 2-bromo-4 0 -fluoroacetophenone. The bond lengths and angles show normal values. The thiadiazine ring is non-planar.

6-(2,4-Difluoro­phen­yl)-3-propyl-7H-1,2
6-(2,4-Difluoro­phen­yl)-3-propyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazine
✍ Zhang, Li-Xue ;Jin, Jian-Yu ;Zhou, San-Nu ;Xiao, Hong-Ping ;Zhang, An-Jiang 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 126 KB

The title compound, C 13 H 12 F 2 N 4 S, was prepared by the reaction of propanoic acid and thiocarbohydrazide. The bond lengths in the triazole ring show normal values.

6-(2,4-Difluoro­phen­yl)-3-(3-hydroxy­pr
6-(2,4-Difluoro­phen­yl)-3-(3-hydroxy­prop­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazine
✍ Jin, Jian-Yu ;Zhang, Li-Xue ;Zhou, San-Nu ;Xiao, Hong-Ping ;Zhang, An-Jiang 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 151 KB

In the title compound, C 13 H 12 F 2 N 4 OS, the thiadiazine ring adopts a screw-boat conformation. Weak O-HÁ Á ÁN hydrogen bonds are found in the crystal structure. These link the molecules into a zigzag chain.

6-(4-Fluoro­phen­yl)-3-methyl-7H-1,2,4-t
6-(4-Fluoro­phen­yl)-3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazine
✍ Zhang, Li-Xue ;Jin, Jian-Yu ;Zhou, San-Nu ;Xiao, Hong-Ping ;Zhang, An-Jiang 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 109 KB

In the title compound, C 11 H 9 FN 4 S, the triazole ring is planar, whereas the thiadiazine may be regarded as having a screwboat conformation.

3-[6-(4-Bromo­phen­yl)-7H-1,2,4-triazolo
3-[6-(4-Bromo­phen­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-3-yl]propanol
✍ Zhang, Li-Xue ;Jin, Jian-Yu ;Zhou, San-Nu ;Xiao, Hong-Ping ;Zhang, An-Jiang 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 101 KB

The title compound, C~13~H~13~BrN~4~OS, crystallizes with two molecules in the asymmetric unit. Intermolecular O—H...N hydrogen bonds enhance the stability of the crystal structure.

6-(2,4-Di­fluoro­phenyl)-3-(3-methyl­phe
6-(2,4-Di­fluoro­phenyl)-3-(3-methyl­phenyl)-7H-1,2,4-triazolo­[3,4-b][1,3,4]­thia­diazine
✍ Xiang, Guang-Qi ;Zhang, Li-Xue ;Zhang, An-Jiang ;Cai, Xiao-Qing ;Hu, Mao-Lin 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 354 KB

Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.006 A Ê R factor = 0.079 wR factor = 0.195 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.