Collect. Czech. Chem. Commun.
1993, 58, 373-377
https://doi.org/10.1135/cccc19930373
Deformation of the Adamantane Skeleton by Substitution: Crystal Structure of 1-Methylsulfonyladamantane
Bernard Tinanta, Jean-Paul Declercqa and Otto Exnerb
a Laboratoire de Chimie Physique et de Cristallographie, Université Catolique de Louvain, 1348 Louvain la Neuve, Belgium
b Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10 Prague 6, Czech Republic
Abstract
The crystals of 1-methylsulfonyladamantane are monoclinic, space group P21/a, with a = 11.094(3), b = 7.668(2), c = 13.161(3) Å, β = 101.74(2)0, V = 1 096.1(5) Å3, Z = 4, Dx = 1.29 g cm -3, MoKα, λ = 0.71069 Å, μ = 2.65 cm-1, F(000) = 456, T = 291 K, the final R value is 0.036 for 1 834 observed reflections. For this compound and from literature data, the bond angles of adamantane derivatives are briefly discussed: the angle on the substituted C(1) atom depends clearly on the substituent but the available figures are still rather imprecise.
