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http://bura.brunel.ac.uk/handle/2438/29927| Title: | Two polymorphic forms of the oxathiin systemic fungicide active carboxine |
| Authors: | Frampton, CS Frampton, ES Thomson, PA |
| Keywords: | crystal structure;polymorphism;fungicide;carboxine;carboxin;hydrogen bonding |
| Issue Date: | 9-Nov-2018 |
| Publisher: | International Union of Crystallography |
| Citation: | Frampton, C.S., Frampton, E.S. and Thomson, P.A. (2018) 'Two polymorphic forms of the oxathiin systemic fungicide active carboxine', Acta Crystallographica Section E: Crystallographic Communications, 74, pp. 1741 - 1745. doi: 10.1107/S2056989018015451. |
| Abstract: | Two polymorphic crystal forms of the title compound, C12H13NO2S (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 P1 with Z0 = 2. Crystals of form 2, which were isolated from methanol only are monoclinic, space group I2/a with Z0 = 1. The crystal packing in both structures is dominated by the formation of infinite –NHO hydrogen-bonded chains through the carboxamide core. |
| Description: | CCDC references: 1876595; 1876594. Supporting information is available online at: https://journals.iucr.org/e/issues/2018/12/00/hb7783/index.html . |
| URI: | https://bura.brunel.ac.uk/handle/2438/29927 |
| DOI: | https://doi.org/10.1107/S2056989018015451 |
| Other Identifiers: | ORCiD: Christopher S. Frampton https://orcid.org/0000-0003-1749-0360 |
| Appears in Collections: | The Experimental Techniques Centre |
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