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Crystal structure and Hirshfeld surface analysis of (E)-3-(benzyl-idene-amino)-5-phenyl-thia-zolidin-2-iminium bromide.

ABSTRACT: The central thia-zolidine ring of the title salt, C16H16N3S+·Br-, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N-H?Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H?H (46.4%), C?H/H?C (18.6%) and H?Br/Br?H (17.5%) inter-actions.

SUBMITTER: Duruskari GS

PROVIDER: S-EPMC7057372 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (E)-3-(benzyl-idene-amino)-5-phenyl-thia-zolidin-2-iminium bromide.

Duruskari Gulnara Sh GS Akkurt Mehmet M Mammadova Gunay Z GZ Chyrka Taras T Maharramov Abel M AM

Acta crystallographica. Section E, Crystallographic communications 20200221 Pt 3

The central thia-zolidine ring of the title salt, C16H16N3S+·Br-, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N-H⋯Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (46.4%), ...[more]

PMID: 32148888

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