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.
1-Phenylsulfonyl-1H-1,2,4-triazole
✍ Scribed by Naveen, S. ;Benaka Prasad, S. B. ;Sridhar, M. A. ;Shashidhara Prasad, J. ;Rangappa, K. S.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 216 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C 8 H 7 N 3 O 2 S, the dihedral angle between the 1,2,4-triazole ring and the phenyl ring is 82.17 ( 14) . The geometry around the S atom is distorted tetrahedral. The molecules are linked by intermolecular C-HÁ Á ÁN and C-HÁ Á ÁO hydrogen bonds.
📜 SIMILAR VOLUMES
The title molecule, C 14 H 11 N 3 OS, is non-planar. The phenyl and hydroxyphenyl rings form dihedral angles of 69.08 (9) and 24.57 (9) , respectively, with the ®ve-membered 2,4-dihydro-1,2,4-triazole ring. The molecules form centrosymmetric dimers through NÐHÁ Á ÁS hydrogen bonds, with an NÁ Á ÁS d
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.051 wR factor = 0.141 Data-to-parameter ratio = 14.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In a search for potent fungicidal agents, the title compound, [Fe(C 5 H 5 )(C 17 H 18 N 3 O)], has been synthesized and its singlecrystal structure determined. It has proven that a bulky group, such as ferrocene, close to the triazole ring results in a decreased fungicidal activity.
The title compound, C 15 H 13 N 3 S, was prepared by the reaction of 1-(2-chloroethyl)benzene with hydrazine and phenyl isothiocyanate. Packing is stabilized by N-HÁ Á ÁS intermolecular hydrogen bonds and C-HÁ Á Á interactions.