Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder dataстатья
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Аннотация:The three-dimensional solid-state structures of two modifications of doxazosin mesylate C23H26N5O5+.CH3SO3-, 4-amino-2-[ 4-[(2,3-dihydro-1,4-benzodioxin-2-yl) carbonyl] piperazin-1-yl]- 6,7-dimethoxyquinazoline methanesulfonate, a commonly used antihypertensive agent, have been determined by synchrotron X-ray powder diffraction. An anhydrous form (A) and a dihydrate form (dG) crystallize in monoclinic space groups. In both forms the doxazosin molecule is protonated at the N1 atom of the quinazoline bicycle. The N1 atom, and the amino H atoms and O atoms of the mesylate moieties are involved in three-dimensional hydrogen-bonding networks, while solvent water molecules and carboxamide O atoms are also incorporated in a hydrogen-bonding network in dG.