Solid state structural analysis of new pentamidine analogs designed as chemotherapeutics that target DNA by X-ray diffraction and 13C, 15N CP/MAS NMR methods

The paper presents the solid-state analysis of the crystalline form of 1,5-bis[(4-cyanophenyl)-N-methylamino]pentane (1) and polycrystalline powder sample of 1,5-bis[(4-amidinophenyl)-N-methylamino]pentane dihydrochloride (2). The methods used are X-ray diffraction technique and 13C, 15N CP/MAS NMR spectroscopy in an attempt to detect the effects of possible polymorphism. Both methods indicate that only single conformers exist in the solid-state for 1 and 2. 1,5-Bis[(4-cyanophenyl)-N-methylamino]pentane 1, crystallizes in the orthorhombic space group P21212. The asymmetric unit contains one half of the ordered molecule. Only weak intermolecular interactions were found in solid-state, in which methyl groups are engaged.