Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.040 wR factor = 0.116 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Dimethyl N-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate
✍ Scribed by Yıldırım, Sema Öztürk ;Akkurt, Mehmet ;Koca, Murat ;Şekerci, Memet ;Fun, H.-K.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 259 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.043 wR factor = 0.129 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 16 H 11 N 5 S 2 , is a potent new plant elicitor (activator). The benzothiadiazole ring system is essentially planar and forms a dihedral angle of 15.76 (4) with the thiazole ring. An N-HÁ Á ÁN intramolecular hydrogen-bonding interaction is present.
In the molecule of the title compound, C 21 H 18 N 4 O 2 S, all of the rings are individually planar. In the crystal structure, the molecules are linked by intermolecular N-HÁ Á ÁO hydrogen bonds, forming an infinite chain.