2,6-DIMETHYL-N-(5-METHYL-3-ISOXAZOLYL)BEN ZAMIDE

Citation
N. Rodier et al., 2,6-DIMETHYL-N-(5-METHYL-3-ISOXAZOLYL)BEN ZAMIDE, Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 2037-2039
Citations number
5
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
49
Year of publication
1993
Part
11
Pages
2037 - 2039
Database
ISI
SICI code
0108-2701(1993)49:<2037:2Z>2.0.ZU;2-B
Abstract
The molecule of the title compound, 2,6-dimethyl-N(5-methyl-3-isoxazol yl)benzamide, consists of two parts which are approximately planar, an N-3-amido-5-methylisoxazole group and a 2,6-dimethyl-benzene group. T he least-squares planes of the isoxazole and benzene rings make an ang le of 83.54(9)degrees. An intramolecular C-H...O hydrogen bond [2.877( 3)Angstrom, 110(2)degrees] forms a pseudo six-membered ring and contri butes to the planarity of the isoxazole group. A delocalized orbital s preads out from the isoxazole ring to the carbonyl group. The structur e is made up of dimers; molecules belonging to the same dimer are rela ted by a centre of symmetry and linked together by two N-H...N hydroge n bonds[2.983(3) Angstrom, 163(3)degrees].