Entrapped Transient Chloroform Solvates of Bilastine

The knowledge about the solid forms landscape of Bilastine (BL) has been extended. The crystal structures of two anhydrous forms have been determined, and the relative thermodynamic stability among the three known anhydrous polymorphs has been established. Moreover, three chloroform solvates with va...

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Autores: Puigjaner Vallet, Ma. Cristina, Portell Bueso, Anna, Blasco, Arturo, Font Bardia, Ma. Mercedes, Vallcorba, Oriol
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2021
País:España
Recursos:Universidad de Barcelona
Repositório:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/183654
Acesso em linha:https://hdl.handle.net/2445/183654
Access Level:Acceso aberto
Palavra-chave:Cristal·lografia
Estructura cristal·lina (Sòlids)
Radiocristal·lografia
Crystallography
Layer structure (Solids)
X-ray crystallography
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spelling Entrapped Transient Chloroform Solvates of BilastinePuigjaner Vallet, Ma. CristinaPortell Bueso, AnnaBlasco, ArturoFont Bardia, Ma. MercedesVallcorba, OriolCristal·lografiaEstructura cristal·lina (Sòlids)Radiocristal·lografiaCrystallographyLayer structure (Solids)X-ray crystallographyThe knowledge about the solid forms landscape of Bilastine (BL) has been extended. The crystal structures of two anhydrous forms have been determined, and the relative thermodynamic stability among the three known anhydrous polymorphs has been established. Moreover, three chloroform solvates with variable stoichiometry have been identified and characterized, showing that S3CHCl3-H2O and SCHCl3 can be classified as transient solvateswhich transforminto the newchloroform solvate SCHCl3-H2O when removed fromthemother liquor. The determination of their crystal structures from combined single crystal/synchrotron X-ray powder diffraction data has allowed the complete characterization of these solvates, being two of them heterosolvates (S3CHCl3-H2O and SCHCl3-H2O) and SCHCl3 a monosolvate. Moreover, the temperature dependent stability and interrelation pathways among the chloroform solvates and the anhydrous forms of BL have been studied.MDPI2021info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/183654Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: https://doi.org/10.3390/cryst11040342Crystals, 2021, vol. 11, num. 342, p. 1-21https://doi.org/10.3390/cryst11040342cc-by (c) Puigjaner Vallet, Ma. Cristina et al., 2021https://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1836542026-05-27T06:46:51Z
dc.title.none.fl_str_mv Entrapped Transient Chloroform Solvates of Bilastine
title Entrapped Transient Chloroform Solvates of Bilastine
spellingShingle Entrapped Transient Chloroform Solvates of Bilastine
Puigjaner Vallet, Ma. Cristina
Cristal·lografia
Estructura cristal·lina (Sòlids)
Radiocristal·lografia
Crystallography
Layer structure (Solids)
X-ray crystallography
title_short Entrapped Transient Chloroform Solvates of Bilastine
title_full Entrapped Transient Chloroform Solvates of Bilastine
title_fullStr Entrapped Transient Chloroform Solvates of Bilastine
title_full_unstemmed Entrapped Transient Chloroform Solvates of Bilastine
title_sort Entrapped Transient Chloroform Solvates of Bilastine
dc.creator.none.fl_str_mv Puigjaner Vallet, Ma. Cristina
Portell Bueso, Anna
Blasco, Arturo
Font Bardia, Ma. Mercedes
Vallcorba, Oriol
author Puigjaner Vallet, Ma. Cristina
author_facet Puigjaner Vallet, Ma. Cristina
Portell Bueso, Anna
Blasco, Arturo
Font Bardia, Ma. Mercedes
Vallcorba, Oriol
author_role author
author2 Portell Bueso, Anna
Blasco, Arturo
Font Bardia, Ma. Mercedes
Vallcorba, Oriol
author2_role author
author
author
author
dc.subject.none.fl_str_mv Cristal·lografia
Estructura cristal·lina (Sòlids)
Radiocristal·lografia
Crystallography
Layer structure (Solids)
X-ray crystallography
topic Cristal·lografia
Estructura cristal·lina (Sòlids)
Radiocristal·lografia
Crystallography
Layer structure (Solids)
X-ray crystallography
description The knowledge about the solid forms landscape of Bilastine (BL) has been extended. The crystal structures of two anhydrous forms have been determined, and the relative thermodynamic stability among the three known anhydrous polymorphs has been established. Moreover, three chloroform solvates with variable stoichiometry have been identified and characterized, showing that S3CHCl3-H2O and SCHCl3 can be classified as transient solvateswhich transforminto the newchloroform solvate SCHCl3-H2O when removed fromthemother liquor. The determination of their crystal structures from combined single crystal/synchrotron X-ray powder diffraction data has allowed the complete characterization of these solvates, being two of them heterosolvates (S3CHCl3-H2O and SCHCl3-H2O) and SCHCl3 a monosolvate. Moreover, the temperature dependent stability and interrelation pathways among the chloroform solvates and the anhydrous forms of BL have been studied.
publishDate 2021
dc.date.none.fl_str_mv 2021
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/183654
url https://hdl.handle.net/2445/183654
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.3390/cryst11040342
Crystals, 2021, vol. 11, num. 342, p. 1-21
https://doi.org/10.3390/cryst11040342
dc.rights.none.fl_str_mv cc-by (c) Puigjaner Vallet, Ma. Cristina et al., 2021
https://creativecommons.org/licenses/by/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by (c) Puigjaner Vallet, Ma. Cristina et al., 2021
https://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
dc.source.none.fl_str_mv Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.300724

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