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Crystal structure of solifenacin hydrogen succinate, C23H27N2O2(HC4H4O4)

Published online by Cambridge University Press:  12 August 2015

James A. Kaduk ,
Joel W. Reid ,
Kai Zhong ,
Amy M. Gindhart  and
Thomas N. Blanton
James A. Kaduk*
Affiliation:
Illinois Institute of Technology, 3101 S. Dearborn St., Chicago, Illinois 60616
Joel W. Reid
Affiliation:
Canadian Light Source, 44 Innovation Blvd., Saskatoon, SK, S7N 2V3, Canada
Kai Zhong
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania, 19073-3273
Amy M. Gindhart
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: [email protected]
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Abstract

The crystal structure of solifenacin hydrogen succinate [C23H27N2O2(HC4H4O4)] has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Solifenacin hydrogen succinate crystallizes in space group P21 (#4) with a = 6.477 03(2), b = 7.830 95(2), c = 23.848 72(7) Å, β = 90.2373(3)°, V = 1209.63(1) Å3, and Z = 2. The hydrogen succinate anions form a chain linked by strong hydrogen bonds parallel to the a-axis. Discrete N–H···O hydrogen bonds lie on the sides of this chain, resulting in a layer parallel to the ab-plane rich in hydrogen bonds. Halfway between these layers the molecules meet in a herringbone packing of aromatic rings. The powder pattern has been submitted to ICDD for inclusion in future releases of the Powder Diffraction File™.

Keywords

solifenacinVESIcare®powder diffractionRietveld refinementdensity functional theory
Type
Technical Articles
Information
Powder Diffraction , Volume 30 , Issue 3 , September 2015 , pp. 211 - 217
Copyright
Copyright © International Centre for Diffraction Data 2015 

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