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Crystal structure of terazosin hydrochloride dihydrate (Hytrin®), C19H26N5O4Cl(H2O)2

Published online by Cambridge University Press:  24 July 2018

Austin M. Wheatley ,
James A. Kaduk Open the ORCID record for James A. Kaduk [Opens in a new window] ,
Martin Vickers ,
Amy M. Gindhart ,
Joseph G. Sunzeri  and
Thomas N. Blanton
Austin M. Wheatley
Affiliation:
North Central College, 131 S. Loomis St., Naperville, Illinois 60540
James A. Kaduk*
Affiliation:
North Central College, 131 S. Loomis St., Naperville, Illinois 60540 Illinois Institute of Technology, 3101 S. Dearborn St., Chicago, Illinois 60616
Martin Vickers
Affiliation:
Department of Chemistry, University College London, 20 Gordon St., London WC1H 0AJ, UK
Amy M. Gindhart
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273
Joseph G. Sunzeri
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273
Thomas N. Blanton
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273
*
a)Author to whom correspondence should be addressed. Electronic mail: kaduk@polycrystallography.com
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Abstract

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) Å3, 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™.

Keywords

terazosin hydrochloride dihydrateHytrin®powder diffractionRietveld refinementdensity functional theory
Type
New Diffraction Data
Information
Powder Diffraction , Volume 33 , Issue 3 , September 2018 , pp. 229 - 236
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Copyright
Copyright © International Centre for Diffraction Data 2018 

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