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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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. |
format | Online Article Text |
id | pubmed-5947716 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT kerstenkortney surveyandanalysisofcrystalpolymorphisminorganicstructures AT kaurramanpreet surveyandanalysisofcrystalpolymorphisminorganicstructures AT matzgeradam surveyandanalysisofcrystalpolymorphisminorganicstructures |