Paper
Synthesis and Crystal Structure of 1-(Cyano(4-methoxyphenyl)methyl)cyclohexyl Acetate
Published Jul 18, 2007 · K. Mantelingu, C. Kavitha, K. S. Rangappa
Molecular Crystals and Liquid Crystals
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Abstract
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) Å, b = 12.398(14) Å, c = 19.026(19) Å and V = 3164(5) Å 3 for Z = 8. The cyclohexane ring is in a chair conformation. The structure exhibits intermolecular hydrogen bonds of the type C–H…N and C–H…O.
1-(Cyano(4-methoxyphenyl)methyl)cyclohexyl acetate crystallizes in the orthorhombic crystal class in the space group Pbca, with the cyclohexane ring in a chair conformation and intermolecular hydrogen
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