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4-[5-(4-Fluoro­phen­yl)-3-isopropyl­isoxazol-4-yl]pyridin-2(1H)-one

✍ Scribed by Abadleh, Mohammed ;Peifer, Christian ;Kinkel, Katrin ;Schollmeyer, Dieter ;Laufer, Stefan

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
264 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The crystal structure of the title compound, C~17~H~15~FN~2~O~2~, was determined as part of a study of the biological activity of pyridine-substituted isoxazole derivatives as mitogen-activated protein kinase (MAPK) inhibitors. In the crystal structure of the title compound, the compound exists in the lactam and not in the tautomeric pyridin-2-ol form. As the aromatic pyridine nitrogen is considered to be important for accepting a hydrogen bond from p38MAPK, the structure of the lactam unit is correlated with the loss of biological activity of the title compound in the p38MAPK assay. In the crystal structure, the lactam is involved in hydrogen bonds, forming chains along the b axis.

📜 SIMILAR VOLUMES

4-[5-(4-Fluoro­phen­yl)-3-isopropyl­isox
4-[5-(4-Fluoro­phen­yl)-3-isopropyl­isoxazol-4-yl]pyridine
✍ Peifer, Christian ;Abadleh, Mohammed ;Schollmeyer, Dieter ;Laufer, Stefan 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 240 KB

In the title compound, C 17 H 15 FN 2 O, the exocyclic bond angles at the C atoms of the isoxazole ring bearing the pyridyl and 4fluorophenyl substituents are 129.66 (17) and 134.58 ( 16) , respectively. The structure was determined in a study of the molecular geometry of isoxazole derivatives with

4-[3-(4-Fluoro­phen­yl)-5-isopropyl­isox
4-[3-(4-Fluoro­phen­yl)-5-isopropyl­isoxazol-4-yl]pyridine
✍ Peifer, Christian ;Abadleh, Mohammed ;Schollmeyer, Dieter ;Laufer, Stefan 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 209 KB

Single-crystal X-ray study in main residue R factor = 0.066 wR factor = 0.198 Data-to-parameter ratio = 13.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

3-(4-Fluoro-3-phenoxy­phen­yl)-5-(4-meth
3-(4-Fluoro-3-phenoxy­phen­yl)-5-(4-methoxy­phen­yl)isoxazole
✍ Chopra, Deepak ;Mohan, T. P. ;Vishalakshi, B. 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 192 KB

The crystal structure of the title compound, C~22~H~16~FNO~3~, is stablized by C—H...π intermolecular interactions.

1-(4-Fluoro­phen­yl)-3-(2,4,5-trimethoxy
1-(4-Fluoro­phen­yl)-3-(2,4,5-trimethoxy­phen­yl)prop-2-en-1-one
✍ Teh, Jeannie Bee-Jan ;Patil, P. S. ;Fun, Hoong-Kun ;Razak, Ibrahim Abdul ;Dharma 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 238 KB

In the title compound, C 18 H 17 FO 4 , the dihedral angle between the benzene rings is 12.42 (2) . The crystal structure is stabilized by C-HÁ Á ÁO, C-HÁ Á Á andinteractions.