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5-Bromo-4-(3,5-di-bromo-2-hy-droxy-phen-yl)-2-(piperidin-1-yl)-1,3-di-thiol-2-ylium bromide.

ABSTRACT: In the title salt, C14H13Br3NOS2 (+)·Br(-), synthesized by bromination of mesoionic 2-[2-(piperidin-1-yl)-1,3-di-thiol-2-ylium-4-yl]phenolate in glacial acetic acid, the dihedral angle between the 1,3-di-thiol-ium ring and the phenolic substituent ring is 45.9?(3)° due to the steric influence of the ortho-Br group on the 1,3-di-thiol-ium ring. The piperidine ring adopts a chair conformation. In the crystal, the cation and anion are linked by an O-H?Br hydrogen bond.

SUBMITTER: Chirita P

PROVIDER: S-EPMC3770374 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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5-Bromo-4-(3,5-di-bromo-2-hy-droxy-phen-yl)-2-(piperidin-1-yl)-1,3-di-thiol-2-ylium bromide.

Chirita Paul P Hrib Cristian G CG Birsa Lucian M LM

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

In the title salt, C14H13Br3NOS2 (+)·Br(-), synthesized by bromination of mesoionic 2-[2-(piperidin-1-yl)-1,3-di-thiol-2-ylium-4-yl]phenolate in glacial acetic acid, the dihedral angle between the 1,3-di-thiol-ium ring and the phenolic substituent ring is 45.9 (3)° due to the steric influence of the ortho-Br group on the 1,3-di-thiol-ium ring. The piperidine ring adopts a chair conformation. In the crystal, the cation and anion are linked by an O-H⋯Br hydrogen bond. ...[more]

PMID: 24046659

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