The crystal structure of the title compound, C 8 H 7 N 3 S, previously determined at room temperature [Ishankhodzhaeva, Kadyrova, Surazhskaya, Parpiev & Koz'min (2001). Zh. Org. Khim, 37, 759±761], has been redetermined at 110 K. Comparison of the two structures reveals signi®cant differences in the
1,3,4-Thiadiazolium-2-thiolate
✍ Scribed by Hu, Pu-Zhou ;Wang, Jian-Ge ;Ma, Lu-Fang ;Zhao, Bang-Tun ;Wang, Li-Ya
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 229 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Molecules of the title compound, C 2 H 2 N 2 S 2 , exist in the crystal structure in the zwitterionic form with the thiol group deprotonated. Hydrogen bonds between the protonated N atoms and the thiolate S atoms link the molecules in a zigzag packing arrangement parallel to the ac plane.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.019 A Ê R factor = 0.099 wR factor = 0.189 Data-to-parameter ratio = 19.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 15 H 11 ClN 2 S, has been prepared by the reaction of Lawesson's reagent with N-(2-chlorobenzoyl)-N H -(4-methylbenzoyl)hydrazine, under microwave irradiation and in the absence of solvent. It crystallizes with two molecules per asymmetric unit and X-ray analysis reveals that t