1-(3-p-Tolyl-isoxazol-5-yl)cyclo-hexa-nol.

ABSTRACT: The title compound, C(16)H(19)NO(2), contains two mol-ecules in the asymmetric unit. Each mol-ecule is composed of three inter-connected rings, two essentially planar rings, viz. the isoxazole and the methyl-benzyl aromatic ring [maximum deviations of 0.0027?(13) and 0.0031?(19)?Å from the isoxazole and methylbenzyl ring planes, respectively, in the first molecule, 0.0018?(12) and 0.019?(2)?Å in the second molecule], and one cyclo-hexa-nol ring having a chair conformation. Although the two mol-ecules have similar bond distances and angles, they differ in the orientation of the cyclo-hexa-nol ring with respect to the tolyl-isoxazole unit. In the first mol-ecule, the dihedral angle between the isoxazole and methyl-benzyl rings is 22.03?(8)° and between the isoxazole and cyclo-hexa-nol rings is 30.15?(8)°. The corresponding values in the second mol-ecule are 6.13?(10) and 88.44?(8)°, respectively. In the crystal, the molecules are linked by O-H?O and O-H?N hydrogen bonds, building up a zigzag chain parallel to the a axis.

SUBMITTER: Khalil O 

PROVIDER: S-EPMC2972041 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature