화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.469, 121-129, 2007
Synthesis and crystal structure of 1-(Cyano(4-methoxyphenyl)methyl)cyclohoxyl acetate
The title compound, C17H21NO3, was synthesized by the acetylation of the hydroxy group of 1-(cyano(4-methoxyphenyl)methyl)cyclohexanol, which was formed by the reaction of 4-methoxyphenyl acetonitrile with cyclohexanone. The compound was characterized spectroscopically, and the structure was investigated by X-ray crystallography. The compound crystallizes in the orthorhombic crystal class in the space group Pbca with cell parameters a = 13.412(6) angstrom, b = 12.398(14) angstrom, c = 19.026(19) angstrom, and V 3164(5) angstrom(3) for Z = 8. The cyclohexane ring is in a chair conformation. The structure exhibits intermolecular hydrogen bonds of the type C-H center dot center dot center dot N and C-H center dot center dot center dot O.