On the interplay between CH...O an OH...O interactions in determining crystal packing and molecular conformation: An experimental and theoretical charge density study of the fungal secondary metabolite austdiol [C(sub12)H(sub 12)O(sub 5)]

An extensive quantitative study of all intra- and intermolecular H...O reactions based on geometrical criteria and on topological analysis of rho(r) is conducted. An experimental, quantititative evidence is given that CH...O HBs are very similar to the conventional OH...O HBs, albeit generally weaker.