2-Fluoro-5-methylphenyl (1H-1,2,4-triazol-1-yl)(1,1,3-trioxo-1,2-dihydro-1,2-benzothiazol-2-yl)methyl ketone
✍ Scribed by Xu, Liang-Zhong ;Zhu, Qi ;Zhou, Kai ;Yang, Ya-Xun
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 306 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.042 wR factor = 0.125 Data-to-parameter ratio = 15.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 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.
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.
In the title compound, C 11 H 9 N 5 OS, the molecules are linked into chains along the c axis via N-HÁ Á ÁN hydrogen bonds. The packing is further stabilized by C-HÁ Á Á andinteractions.