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Two polymorphic forms of the oxathiin systemic fungicide active carboxine
Two polymorphic crystal forms of the title compound, C(12)H(13)NO(2)S (systematic name: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide), were isolated from a truncated, (12 solvent), polymorph screen on pure lyophillized material. Crystals of form 1 were obtained from all solvents includ...
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/PMC6281101/ https://www.ncbi.nlm.nih.gov/pubmed/30574366 http://dx.doi.org/10.1107/S2056989018015451 |
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author | Frampton, Christopher S. Frampton, Eleanor S. Thomson, Paul A. |
author_facet | Frampton, Christopher S. Frampton, Eleanor S. Thomson, Paul A. |
author_sort | Frampton, Christopher S. |
collection | PubMed |
description | Two polymorphic crystal forms of the title compound, C(12)H(13)NO(2)S (systematic name: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide), were isolated from a truncated, (12 solvent), polymorph screen on pure lyophillized material. Crystals of form 1 were obtained from all solvents included in the screen with the exception of methanol. As isolated from acetonitrile the crystals are triclinic, space group P [Image: see text] with Z′ = 2. Crystals of form 2, which were isolated from methanol only are monoclinic, space group I2/a with Z′ = 1. The crystal packing in both structures is dominated by the formation of infinite –NH⋯O hydrogen-bonded chains through the carboxamide core. |
format | Online Article Text |
id | pubmed-6281101 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62811012018-12-20 Two polymorphic forms of the oxathiin systemic fungicide active carboxine Frampton, Christopher S. Frampton, Eleanor S. Thomson, Paul A. Acta Crystallogr E Crystallogr Commun Research Communications Two polymorphic crystal forms of the title compound, C(12)H(13)NO(2)S (systematic name: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide), were isolated from a truncated, (12 solvent), polymorph screen on pure lyophillized material. Crystals of form 1 were obtained from all solvents included in the screen with the exception of methanol. As isolated from acetonitrile the crystals are triclinic, space group P [Image: see text] with Z′ = 2. Crystals of form 2, which were isolated from methanol only are monoclinic, space group I2/a with Z′ = 1. The crystal packing in both structures is dominated by the formation of infinite –NH⋯O hydrogen-bonded chains through the carboxamide core. International Union of Crystallography 2018-11-09 /pmc/articles/PMC6281101/ /pubmed/30574366 http://dx.doi.org/10.1107/S2056989018015451 Text en © Frampton 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 Communications Frampton, Christopher S. Frampton, Eleanor S. Thomson, Paul A. Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
title | Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
title_full | Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
title_fullStr | Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
title_full_unstemmed | Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
title_short | Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
title_sort | two polymorphic forms of the oxathiin systemic fungicide active carboxine |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281101/ https://www.ncbi.nlm.nih.gov/pubmed/30574366 http://dx.doi.org/10.1107/S2056989018015451 |
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