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Survey and analysis of crystal polymorphism in organic structures

With the intention of producing the most comprehensive treatment of the prevalence of crystal polymorphism among structurally characterized materials, all polymorphic compounds flagged as such within the Cambridge Structural Database (CSD) are analysed and a list of crystallographically characterize...

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Detalles Bibliográficos
Autores principales: Kersten, Kortney, Kaur, Ramanpreet, Matzger, Adam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947716/
https://www.ncbi.nlm.nih.gov/pubmed/29765601
http://dx.doi.org/10.1107/S2052252518000660
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author Kersten, Kortney
Kaur, Ramanpreet
Matzger, Adam
author_facet Kersten, Kortney
Kaur, Ramanpreet
Matzger, Adam
author_sort Kersten, Kortney
collection PubMed
description With the intention of producing the most comprehensive treatment of the prevalence of crystal polymorphism among structurally characterized materials, all polymorphic compounds flagged as such within the Cambridge Structural Database (CSD) are analysed and a list of crystallographically characterized organic polymorphic compounds is assembled. Classifying these structures into subclasses of anhydrates, salts, hydrates, non-hydrated solvates and cocrystals reveals that there are significant variations in polymorphism prevalence as a function of crystal type, a fact which has not previously been recognized in the literature. It is also shown that, as a percentage, polymorphic entries are decreasing temporally within the CSD, with the notable exception of cocrystals, which continue to rise at a rate that is a constant fraction of the overall entries. Some phenomena identified that require additional scrutiny include the relative prevalence of temperature-induced phase transitions among organic salts and the paucity of polymorphism in crystals with three or more chemical components.
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spelling pubmed-59477162018-05-15 Survey and analysis of crystal polymorphism in organic structures Kersten, Kortney Kaur, Ramanpreet Matzger, Adam IUCrJ Research Letters With the intention of producing the most comprehensive treatment of the prevalence of crystal polymorphism among structurally characterized materials, all polymorphic compounds flagged as such within the Cambridge Structural Database (CSD) are analysed and a list of crystallographically characterized organic polymorphic compounds is assembled. Classifying these structures into subclasses of anhydrates, salts, hydrates, non-hydrated solvates and cocrystals reveals that there are significant variations in polymorphism prevalence as a function of crystal type, a fact which has not previously been recognized in the literature. It is also shown that, as a percentage, polymorphic entries are decreasing temporally within the CSD, with the notable exception of cocrystals, which continue to rise at a rate that is a constant fraction of the overall entries. Some phenomena identified that require additional scrutiny include the relative prevalence of temperature-induced phase transitions among organic salts and the paucity of polymorphism in crystals with three or more chemical components. International Union of Crystallography 2018-01-25 /pmc/articles/PMC5947716/ /pubmed/29765601 http://dx.doi.org/10.1107/S2052252518000660 Text en © Kortney Kersten et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Letters
Kersten, Kortney
Kaur, Ramanpreet
Matzger, Adam
Survey and analysis of crystal polymorphism in organic structures
title Survey and analysis of crystal polymorphism in organic structures
title_full Survey and analysis of crystal polymorphism in organic structures
title_fullStr Survey and analysis of crystal polymorphism in organic structures
title_full_unstemmed Survey and analysis of crystal polymorphism in organic structures
title_short Survey and analysis of crystal polymorphism in organic structures
title_sort survey and analysis of crystal polymorphism in organic structures
topic Research Letters
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947716/
https://www.ncbi.nlm.nih.gov/pubmed/29765601
http://dx.doi.org/10.1107/S2052252518000660
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