W. Clegg et al., 4-CYANO-4'-[(4R)-4,5-EPOXYPENTYLOXY]BIPHENYL - A PSEUDOSYMMETRY PROBLEM SOLVED WITH SYNCHROTRON DATA, Acta crystallographica. Section C, Crystal structure communications, 54, 1998, pp. 882-885
The title compound, -[(4R)-4,5-epoxypentyloxy]-4-biphenylcarbonitrile,
C18H17NO2, crystallizes in space group P2(1) with two independent mol
ecules of identical chirality. The molecules differ significantly only
in the conformation of the substituent containing the epoxide ring. W
ith the exception of this ring, the structure approximates closely to
the centrosymmetric space group P2(1)/n, in which refinement can be ac
hieved with the assumption of twofold disorder of orientation of the e
poxide ring and a racemic material. The pseudosymmetry is resolved by
a weak subset of h0l reflections (h + l = 2n), which are found to be s
ignificant in a synchrotron data set. The two rings of the biphenyl un
it are essentially coplanar, in contrast to most 4-cyano-4'-(alkyloxy)
biphenyl compounds.