Crystal structure of alfuzosin hydrochloride, C19H28N5O4Cl. Issue 3 (September 2022)

• Record Type: Journal Article
• Authors: Kaduk, James A.
• Is Part Of: Powder diffraction. Volume 37:Issue 3(2022)
• Page Start: 171
• Page End: 182
• Publication Date: 2022-09
• Subjects: alfuzosin hydrochloride -- uroxatral® -- Rietveld refinement -- density functional theory; Powder metallurgy -- Periodicals; Materials -- Analysis -- Periodicals; 620.1127
• DOI: 10.1017/S0885715622000288
• Languages: English
• ISSNs: 0885-7156

Abstract

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 group P- 1 with a = 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) Å 3, and Z = 2 at ambient conditions. Thermal expansion is anisotropic, being 8× larger in the c -direction than in the other two. The crystal structure is characterized by a stack of planar fused rings along the b -axis, and layers of the more-corrugated portion of the molecule parallel to the ab -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®).