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Two polymorphic forms of the oxathiin systemic fungicide active carboxine.

ABSTRACT: Two polymorphic crystal forms of the title compound, C12H13NO2S (systematic name: 6-methyl-N-phenyl-2,3-di-hydro-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 aceto-nitrile the crystals are triclinic, space group P 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.

SUBMITTER: Frampton CS

PROVIDER: S-EPMC6281101 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Two polymorphic forms of the oxathiin systemic fungicide active carboxine.

Frampton Christopher S CS Frampton Eleanor S ES Thomson Paul A PA

Acta crystallographica. Section E, Crystallographic communications 20181109 Pt 12

Two polymorphic crystal forms of the title compound, C12H13NO2S (systematic name: 6-methyl-N-phenyl-2,3-di-hydro-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 aceto-nitrile the crystals are triclinic, space group P with Z' = 2. Crystals of form ...[more]

PMID: 30574366

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