Crystal structures of 1,8‐bis(dimethylamino)naphthalene (DMAN) and dicarboxylic acids complexes determined from single‐crystal and powder diffraction data

Abstract

New complexes of DMAN proton sponge with 3 dicarboxylic acids (dca): glutaric {1}, suberic {2} and dodecanedioic acid {3} were obtained. The structures of the complexes {1,2} were solved on the basis of laboratory powder data, while the structure of {3} was solved using single crystal methods. The additional goal of the study was to test some new approaches to organic crystal structure solution from powder diffraction data, particularly with presence of molecules with high number of internal rotational degrees of freedom (dca molecules). Performance of structure solution using the popular FOX program was tested with alternative definitions of flexible dca molecules.