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Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate
The title salt, C(3)H(6)N(3)S(2) (+)·Cl(−)·H(2)O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected via N—H⋯...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186122/ https://www.ncbi.nlm.nih.gov/pubmed/25309249 http://dx.doi.org/10.1107/S1600536814015864 |
Sumario: | The title salt, C(3)H(6)N(3)S(2) (+)·Cl(−)·H(2)O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected via N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O—H⋯Cl hydrogen bonds involving the chloride ions and water molecules. Within the bilayers there are π–π interactions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations. |
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