Crystal structure of alfuzosin hydrochloride, C19H28N5O4Cl

Abstract

The crystal structure of anhydrous alfuzosin hydrochloride has been solved and refined using laboratory X-ray powder diffraction data and optimized using density functional theory techniques. Anhydrous alfuzosin hydrochloride crystallizes in space groupP-1 witha= 9.3214(16),b= 9.3997(29),c= 12.6172(64) Å,α= 107.993(11),β= 100.386(9),γ= 90.229(6)°,V= 1032.1(10) Å3, andZ= 2 at ambient conditions. Thermal expansion is anisotropic, being 8× larger in thec-direction than in the other two. The crystal structure is characterized by a stack of planar fused rings along theb-axis, and layers of the more-corrugated portion of the molecule parallel to theab-plane. There are two strong N–H⋯Cl hydrogen bonds, as well as seven C-H⋯Cl hydrogen bonds. The powder patterns have been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).