Crystal structure and Hirshfeld surface analysis of 2-Amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-Thiazol-3-ium chloride monohydrate

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Huseynov E. Z., AKKURT M., Brito I., Bhattarai A., Naghiyev F. N., Asadov K. A., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, ss.808-812, 2023 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 79
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1107/s2056989023007090
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.808-812
  • Anahtar Kelimeler: 1,3-Thiazol-3-ium, crystal structure, Hirshfeld surface analysis, hydrogen bonds, hydrogen-bonded network
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the hydrated title salt, C7H12N5S2 +·Cl-·H2O, the asymmetric unit comprises one 2-Amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-Thiazol-3-ium cation, one chloride anion and one water molecule of crystallization. The cation is nearly flat (r.m.s. deviation of non-H atoms is 0.0814Å), 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%) interactions.