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2-Methyl-sulfan-yl-1H-perimidin-3-ium iodide.

ABSTRACT: In the structure of the title salt C(12)H(11)N(2)S(+)·I(-), the methyl-sulfanyl group of the cation is nearly coplanar with the perimidine rings, as indicated by the C-S-C-N torsion angles of 2.9?(5) and -177.2?(3)°, respectively. The (S)C-N bond lengths in the heterocyclic ring are approximately equal [1.325?(5) and 1.326?(6)?Å] suggesting a degree of delocalization. In the crystal, cations and anions are linked via two discrete N-H?I hydrogen bonds, forming chains along the b axis.

SUBMITTER: Ghorbani MH

PROVIDER: S-EPMC3435637 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2-Methyl-sulfan-yl-1H-perimidin-3-ium iodide.

Ghorbani Mohammad Hassan MH

Acta crystallographica. Section E, Structure reports online 20120801 Pt 9

In the structure of the title salt C(12)H(11)N(2)S(+)·I(-), the methyl-sulfanyl group of the cation is nearly coplanar with the perimidine rings, as indicated by the C-S-C-N torsion angles of 2.9 (5) and -177.2 (3)°, respectively. The (S)C-N bond lengths in the heterocyclic ring are approximately equal [1.325 (5) and 1.326 (6) Å] suggesting a degree of delocalization. In the crystal, cations and anions are linked via two discrete N-H⋯I hydrogen bonds, forming chains along the b axis. ...[more]

PMID: 22969510

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