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Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate

Abstract : The title salt, C3H6N3S2 (+)·Cl(-)·H2O, crystallized with two organic cations, two chloride anions and two water mol-ecules 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 mol-ecules. Within the bilayers there are π-π inter-actions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations.
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https://hal.univ-lorraine.fr/hal-01521983
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Submitted on : Friday, May 12, 2017 - 3:52:41 PM
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Sarra Soudani, Emmanuel Aubert, Christian Jelsch, Cherif Ben Nasr. Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate. Acta Crystallographica Section E: Structure Reports Online, International Union of Crystallography, 2014, 70 (9), pp.o913 - o914. ⟨10.1107/S1600536814015864⟩. ⟨hal-01521983⟩

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