Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†

A computational search for polymorphs of cytosine, 5-flucytosine and a 1 : 1 mixture of the two substances not only rationalised the preferred packing arrangements but also enabled the finding and characterisation of cytosine/5-flucytosine solid solutions. The structures of the new solid forms were...

Descripción completa

Detalles Bibliográficos
Autores principales: Braun, D. E., Griesser, U. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218006/
https://www.ncbi.nlm.nih.gov/pubmed/30405321
http://dx.doi.org/10.1039/C7CE00939A
_version_ 1783368380247441408
author Braun, D. E.
Griesser, U. J.
author_facet Braun, D. E.
Griesser, U. J.
author_sort Braun, D. E.
collection PubMed
description A computational search for polymorphs of cytosine, 5-flucytosine and a 1 : 1 mixture of the two substances not only rationalised the preferred packing arrangements but also enabled the finding and characterisation of cytosine/5-flucytosine solid solutions. The structures of the new solid forms were determined by combining laboratory powder X-ray diffraction data and computational modelling.
format Online
Article
Text
id pubmed-6218006
institution National Center for Biotechnology Information
language English
publishDate 2017
record_format MEDLINE/PubMed
spelling pubmed-62180062018-11-05 Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine† Braun, D. E. Griesser, U. J. CrystEngComm Article A computational search for polymorphs of cytosine, 5-flucytosine and a 1 : 1 mixture of the two substances not only rationalised the preferred packing arrangements but also enabled the finding and characterisation of cytosine/5-flucytosine solid solutions. The structures of the new solid forms were determined by combining laboratory powder X-ray diffraction data and computational modelling. 2017-06-12 2017-07-14 /pmc/articles/PMC6218006/ /pubmed/30405321 http://dx.doi.org/10.1039/C7CE00939A Text en https://creativecommons.org/licenses/by/3.0/ This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. (https://creativecommons.org/licenses/by/3.0/)
spellingShingle Article
Braun, D. E.
Griesser, U. J.
Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
title Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
title_full Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
title_fullStr Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
title_full_unstemmed Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
title_short Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
title_sort prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine†
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218006/
https://www.ncbi.nlm.nih.gov/pubmed/30405321
http://dx.doi.org/10.1039/C7CE00939A
work_keys_str_mv AT braunde predictionandexperimentalvalidationofsolidsolutionsandisopolymorphsofcytosine5flucytosine
AT griesseruj predictionandexperimentalvalidationofsolidsolutionsandisopolymorphsofcytosine5flucytosine

Ejemplares similares