X-Ray diffraction, spectroscopy and thermochemical characterization of the pharmaceutical paroxetine nitrate salt

Author(s)

Carvalho, Jr., Paulo S. ^[1] ; de Melo, Cristiane C. ^{[1, 2]} ; Ayala, Alejandro P. ^[2] ; Ellena, Javier ^[1]

Affiliation

^[1] Univ Sao Paulo, Inst Fis Sao Carlos, CP 369, BR-13560970 Sao Carlos, SP - Brazil

^[2] Univ Fed Ceara, Dept Fis, CP 6030, BR-60455970 Fortaleza, Ceara - Brazil

• Document type: Journal article
• Source: Journal of Molecular Structure; v. 1118, p. 288-292, AUG 15 2016.
• Web of Science Citations: 4

Abstract

A comprehensive solid state study of Paroxetine nitrate hydrate, (PRX+center dot NO3-)H2O, is reported. This salt was characterized by a combination of methods, including Single crystal X-ray diffraction, Thermal analysis, Fourier transform infrared spectroscopy (FTIR) and Solubility measurements. (PRX+center dot NO3-)H2O crystallizes in the monoclinic C2 space group (Z' = 1) and its packing was analyzed in details, showing that the main supramolecular motif consists in a C-2(2)(4) chain formed by charge-assisted N+-H center dot center dot center dot O- hydrogen bonds. The salt formation and conformation features were also accuracy established via FTIR spectra. In comparison with the pharmaceutical approved (PRX+center dot Cl-)center dot 0.5H(2)O, (PRX+center dot NO3-)H2O showed a decrease of 24 degrees C in the drug melting peak and a slight reduction in its water solubility value. (C) 2016 Elsevier B.V. All rights reserved. (AU)

• FAPESP's process: 12/05616-7 - Solid-state characterization of anticonvulsant and antidepressant phamaceutical compounds: Design of new crystal forms.
• Grantee: Paulo de Sousa Carvalho Júnior
• Support Opportunities: Scholarships in Brazil - Doctorate