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

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-{(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...

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Detalles Bibliográficos
Autores principales: Huseynov, Elnur Z., Akkurt, Mehmet, Brito, Ivan, Bhattarai, Ajaya, Naghiyev, Farid N., Asadov, Khammed A., Maharramov, Abel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483551/
https://www.ncbi.nlm.nih.gov/pubmed/37693676
http://dx.doi.org/10.1107/S2056989023007090
Descripción
Sumario: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-{(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 0.0814 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%) inter­actions.