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Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1 E )-1-[(carbamo-thioyl-amino)-imino]eth-yl}-4-methyl-1,3-thia-zol-3-ium chloride monohydrate.

Elnur Z HuseynovMehmet AkkurtIvan BritoAjaya BhattaraiFarid N NaghiyevKhammed A AsadovAbel M Maharramov
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
In the hydrated title salt, C 7 H 12 N 5 S 2 + ·Cl - ·H 2 O, the asymmetric unit comprises one 2-amino-5-{(1 E )-1-[(carbamo-thioyl-amino)-imino]-eth-yl}-4-methyl-1,3-thia-zol-3-ium cation, one chloride anion and one water mol-ecule of crystallization. The cation is nearly flat (r.m.s. deviation of non-H atoms is 0.0814 Å), with the largest deviation of 0.1484 (14) Å observed for one of the methyl C atoms. In the crystal, the cations are linked by O-H⋯Cl, N-H⋯Cl, N-H⋯O, N-H⋯S and C-H⋯S hydrogen bonds, forming a tri-periodic network. The most important contributions to the crystal packing are from H⋯H (35.4%), S⋯H/H⋯S (24.4%), N⋯H/H⋯N (8.7%), Cl⋯H/H⋯Cl (8.2%) and C⋯H/H⋯C (7.7%) inter-actions.
Keyphrases
  • crystal structure
  • ionic liquid
  • solid state