Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.049 wR factor = 0.135 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
5-Amino-4-methylsulfonyl-1-phenyl-1H-pyrazole
✍ Scribed by Kettmann, Viktor ;Lokaj, Jan ;Milata, Viktor ;Černuchová, Petra ;Loupy, André ;Vo-Thanh, Giang
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 108 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The NH unit on the exocyclic C C double bond in the title compound, C 25 H 23 N 3 O, interacts with the carbonyl group through an intramolecular hydrogen bond.
The title compound 3 was obtained during the rearrangement of isoxazol-5-yl hydrazine 1 to 1 -aminopyrazolone 2 at \(115^{\circ}\). X-ray analysis of the corresponding benzylidene derivative allowed us to achieve the structure assignment.
The NH unit on the exocyclic C C double bond in the title compound, C 24 H 21 N 3 O, which is on the same side of the double bond as the C O unit of the pyrazolone ring, interacts with the carbonyl group through an intramolecular N-HÁ Á ÁO hydrogen bond [2.685 (2) A ˚].