The crystal structure of the title compound, C~22~H~16~FNO~3~, is stablized by C—H...π intermolecular interactions.
3-(4-Chlorophenyl)isoxazole-5-carbaldehyde
✍ Scribed by Zhang, Da-Tong ;Ma, Yi ;Shi, Nian-Qiu
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 78 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 298 K Mean (C-C) = 0.003 A R factor = 0.049 wR factor = 0.119 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
In the title molecule, C 11 H 11 NO 2 , the isoxazole ring shows normal values of bond lengths and angles. The molecular skeleton, excluding the hydroxyl oxygen, is essentially planar. Intermolecular O-HÁ Á ÁN hydrogen bonds link the molecules into chains extending along the a axis.
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
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.