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Crystal structure of 2-[(naphthalen-2-yl)meth-yl]iso-thio-uronium bromide.

ABSTRACT: Herein we report the crystal structure of 2-[(naphthalen-2-yl)meth-yl]iso-thio-uronium bromide, C₁₂H₁₃N₂S⁺·Br^-, which crystallizes in the monoclinic P2₁/c centrosymmetric space group. The asymmetric unit contains one 2-[(naphthalen-2-yl)meth-yl]iso-thio-uronium cation and one bromide anion. The methyl-ene carbon lies in plane of the naphthalene core. In comparison with reference structures, elongation of C-S bonds as well as tilting of the iso-thio-uronium group is observed. Given the ionic nature of the compound, the structure is held by charge-assisted N-H⋯Br hydrogen bonds, with a noteworthy contribution of dipole-dipole inter-actions, which form bilayers in the structure. The bilayers are held by the weak London forces.

SUBMITTER: Eigner V

PROVIDER: S-EPMC9462150 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2-[(naphthalen-2-yl)meth-yl]iso-thio-uronium bromide.

Eigner Václav V

IUCrData 20201117 Pt 11

Herein we report the crystal structure of 2-[(naphthalen-2-yl)meth-yl]iso-thio-uronium bromide, C12H13N2S+·Br-, which crystallizes in the monoclinic P21/c centrosymmetric space group. The asymmetric unit contains one 2-[(naphthalen-2-yl)meth-yl]iso-thio-uronium cation and one bromide anion. The methyl-ene carbon lies in plane of the naphthalene core. In comparison with reference structures, elongation of C-S bonds as ...[more]

PMID: 36340011

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