Sodium aspirin salts: crystallization and characterization

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dc.contributor.author Búdová, Miroslava
dc.contributor.author Skořepová, Eliška
dc.contributor.author Jan, Čejka
dc.date.accessioned 2020-02-20T15:24:36Z
dc.date.available 2020-02-20T15:24:36Z
dc.date.issued 2018-07-09
dc.identifier.citation Búdová, M., Skořepová, E. and Jan, Č. (2018) 'Sodium Aspirin Salts: Crystallization and Characterization', Crystal Growth & Design, 18(9), pp. 5287-5294. doi: 10.1021/acs.cgd.8b00718 en
dc.identifier.volume 18 en
dc.identifier.issued 9 en
dc.identifier.startpage 5287 en
dc.identifier.endpage 5294 en
dc.identifier.issn 1528-7483
dc.identifier.issn 1528-7505
dc.identifier.uri http://hdl.handle.net/10468/9677
dc.identifier.doi 10.1021/acs.cgd.8b00718 en
dc.description.abstract Acetylsalicylic acid (trade name aspirin) is a well-known drug with antipyretic and analgesic effects. Mixtures that benefit from better solubility of its sodium salt have been sold for almost 90 years. Currently, several drug products are available with sodium aspirin as their active ingredient, but, until now, its crystal structure remained unknown. We have investigated the multicomponent system of sodium acetylsalicylate with the following results: an anhydrate and a dihydrate of a 1:1 salt were identified together with a hemihydrate of a 2:1 salt. Crystal structures of all forms were solved by single-crystal X-ray diffraction. The structural changes upon desolvation were studied by simultaneous thermogravimetric/differential scanning calorimetry supported by X-ray powder diffraction. The crystal structures were compared to those of all up-to-date published crystal structures of aspirin salts. Both of the hydrated sodium salts belong to the same isostructural family, while the anhydrate crystallizes with a unique packing of the acetylsalicylate anions. en
dc.description.sponsorship Grantová Agentura České Republiky (Czech Science Foundation (GA Č R) project, Grant No. 16-10035S) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Chemical Society en
dc.relation.uri https://pubs.acs.org/doi/10.1021/acs.cgd.8b00718
dc.rights © 2018 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth and Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.cgd.8b00718 en
dc.subject Salts en
dc.subject Crystal structure en
dc.subject Molecules en
dc.subject Sodium cations en
dc.subject Polymorphism en
dc.subject Hydrates en
dc.subject Polymorphic transformation en
dc.title Sodium aspirin salts: crystallization and characterization en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Eliška Skořepová, Chemistry, University College Cork, Cork, Ireland. +353-21-490-3000. E: eliska.skorepova@ucc.ie en
dc.internal.availability Full text available en
dc.description.version Accepted Version en
dc.contributor.funder Grantová Agentura České Republiky en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Crystal Growth & Desig en
dc.internal.IRISemailaddress eliska.skorepova@ucc.ie en


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