Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium chloride monohydrate
Kayukova L.A. Yergaliyeva E.M. Vologzhanina A.V.
1 January 2022International Union of Crystallography
Acta Crystallographica Section E: Crystallographic Communications
2022#78164 - 168 pp.
The reaction of β-(thiomorpholin-1-yl)propioamidoxime with tosyl chloride in CHCl3 in the presence of DIPEA when heated at 343K for 8h afforded the title hydrated salt, C7H14N3S+·Cl-·H2O, in 84% yield. This course of the tosylation reaction differs from the result of tosylation obtained for this substrate at room temperature, when only 2-amino-8-thia-1,5-diazaspiro[4.5]dec-1-ene-5-ammonium tosylate was isolated in 56% yield. The structure of the reaction product was established by physicochemical methods, spectroscopy, and X-ray diffraction. The single-crystal data demonstrated that the previously reported crystal structure of this compound [Kayukova et al. (2021). Chem. J. Kaz, 74, 21-31] had been refined in a wrong space group. In the extended structure, the chloride anions, water molecules and amine groups of the cations form two-periodic hydrogen-bonded networks with the fes topology.
crystal structure , hydrogen bonding , redetermination , spiro[4.5]dec-1-en-5-ium , tosylation
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JSC A. B. Bekturov Institute of Chemical Sciences, 106 Shokan Ualikhanov str., Almaty, 050010, Kazakhstan
X-Ray Structural Centre, A.N. Nesmeyanov Institute of Organoelement Compounds, RAS, 28 Vavilova str., Moscow, 119991, Russian Federation
JSC A. B. Bekturov Institute of Chemical Sciences
X-Ray Structural Centre
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