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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 11, Number 5
BKCSDE 11(5)
May 20, 1990 

The Crystal Structure of Cholesteryl Aniline
Young Ja Park*, Sangsoo Kim, Seung Bun Lee
Cholesteryl aniline (C33H51N) is monoclinic, space group P21, with a = 9.020(3), b = 6.000(1), c = 27.130(9)Å, β = 98.22(2)°, Z = 2, Dc = 1.06 g/cm3 and Dm = 1.04 g/cm3. A diffraction data set was collected with Mo-Kα radiation (λ = 0.7107 Å) on a diffractometer with a graphite monochromator to a maximum 2θ value of 50°, by the ω-2θ scan technique. The coordinates of the non-hydrogen atoms and their anisotropic temperature factors were refined by full-matrix least-squares methods to final R of 0.058. In cholesteryl group, bond distances were normal except in tail part, where high thermal vibration resulted in apparent shortening of the C-C distances. The crystal structure consists of bilayers of thickness d001 = 27.13 Å, in each of which there is the tail to tail arrangement of molecules aligned in the unit cell with their long axes approximately parallel to the [104] axis. The two halves of the double layer are related to each other by the screw axis.
427 - 430
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