Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.040 wR factor = 0.112 Data-to-parameter ratio = 10.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
1-(1-Ferrocenyl-1-methoxy-3-phenyl-2-propyl)-1H-1,2,4-triazole
✍ Scribed by Jin, Zhong ;Song, Hai-bing ;Liu, Wei ;Hu, Yan ;Liu, Jian-bin ;Shao, Ling ;Fang, Jian-xin
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 266 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.036 wR factor = 0.084 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.
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.
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.