The title compound, C~11~H~10~N~2~O~2~, was prepared by the esterfication of 5-phenyl-1__H__-pyrazole-3-carboxylic acid with methanol. The phenyl ring is rotated out of the pyrazole plane, forming a dihedral angle of 6.4 (1)°. The crystal structure is stabilized by intermolecular aromatic π–π intera
4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
✍ Scribed by Arıcı, Cengiz ;Ülkü, Dinçer ;Saçmacı, Mustafa ;Üngören, Ş. Hakan ;Akçamur, Yunus
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 404 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the crystal structure of the title compound, C 8 H 12 N 2 O 2 S, the molecules are linked into centrosymmetric dimers by a pair of strong O-HÁ Á ÁO hydrogen bonds. Intermolecular SÁ Á ÁS contacts between adjacent dimers generate a sheet-like structure running parallel to the (211) plane.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.043 wR factor = 0.128 Data-to-parameter ratio = 12.5 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 = 0.043 wR factor = 0.109 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.