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Crystal structure of a methimazole-based ionic liquid.


ABSTRACT: The structure of 1-methyl-2-(prop-2-en-1-ylsulfan-yl)-1H-imidazol-3-ium bromide, C7H11N2S(+)·Br(-), has monoclinic (P21/c) symmetry. In the crystal, the components are linked by N-H?Br and C-H?Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole reacts through the thione tautomer, rather than the thiol tautomer in this system.

SUBMITTER: Gaitor JC 

PROVIDER: S-EPMC4719949 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of a methimazole-based ionic liquid.

Gaitor Jamie C JC   Zayas Manuel Sanchez MS   Myrthil Darrel J DJ   White Frankie F   Hendrich Jeffrey M JM   Sykora Richard E RE   O'Brien Richard A RA   Reilly John T JT   Mirjafari Arsalan A  

Acta crystallographica. Section E, Crystallographic communications 20151206 Pt 12


The structure of 1-methyl-2-(prop-2-en-1-ylsulfan-yl)-1H-imidazol-3-ium bromide, C7H11N2S(+)·Br(-), has monoclinic (P21/c) symmetry. In the crystal, the components are linked by N-H⋯Br and C-H⋯Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole reacts through the thione tautomer, rather than the thiol tautomer in this system. ...[more]

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