Crystal structure of terazosin hydrochloride dihydrate (Hytrin^®), C₁₉H ₂₆N₅O₄Cl(H₂O)₂

Journal Article · Tue Jul 24 04:00:00 EDT 2018 · Powder Diffraction

DOI:https://doi.org/10.1017/S0885715618000490· OSTI ID:1476104

Wheatley, Austin M.; Kaduk, James A.; Vickers, Martin; Gindhart, Amy M.; Sunzeri, Joseph G.; Blanton, Thomas N.

The crystal structure of terazosin hydrochloride dihydrate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Terazosin hydrochloride dihydrate crystallizes in space group P- 1(#2) with a = 10.01402(4), b = 10.89995(4), c = 11.85357(4) Å, α = 89.5030(3), β = 71.8503(3), γ = 66.5632(2)°, V = 1118.143(8) ų, and Z = 2. The terazosin cation occurs in an extended conformation. The crystal structure is dominated by hydrogen bonds. The most notable are the O–H···Cl from the water molecules to the chloride anion and N–H···Cl from the protonated ring nitrogen to the chloride. The amino group donates protons to each of the two water molecules. The powder pattern has been submitted to ICDD^®for inclusion in the Powder Diffraction File™.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: DOE - BASIC ENERGY SCIENCESINDUSTRY
• OSTI ID: 1476104
• Journal Information: Powder Diffraction, Journal Name: Powder Diffraction Journal Issue: 3 Vol. 33; ISSN 0885-7156
• Publisher: Cambridge University Press
• Country of Publication: United States
• Language: ENGLISH