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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...

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Detalles Bibliográficos
Autores principales: Frampton, Christopher S., Frampton, Eleanor S., Thomson, Paul A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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