Methyl 3,5-bis(cyclo-hexyl-meth-oxy)benzoate.

ABSTRACT: In the title compound, C22H32O4, the atoms of the methyl ester group and the alk-oxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008?Å. Bonds to the methyl-ene and cyclo-hexyl groups are also very close to this plane, so that the mol-ecule is essentially flat, apart from the cyclo-hexyl groups. The mean planes through the cyclo-hexyl groups are tilted by 30.08?(9) and 36.14?(7)° with respect to the central aromatic ring. In the crystal, pairs of mol-ecules linked by C-H?O hydrogen bonds form planar units which are stacked along the a axis, with an average inter-planar distance of 3.549?(2)?Å. Stacking appears to be stabilized by further weak C-H?O hydrogen bonds.

SUBMITTER: Corfield PW 

PROVIDER: S-EPMC3998623 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature