Redetermination of the structure of 2-amino-8-thia-1,5-di-aza-spiro-[4.5]dec-1-en-5-ium chloride monohydrate.

Autor: Kayukova LA; JSC A. B. Bekturov Institute of Chemical Sciences, 106 Shokan Ualikhanov str., 050010, Almaty, Kazakhstan., Yergaliyeva EM; JSC A. B. Bekturov Institute of Chemical Sciences, 106 Shokan Ualikhanov str., 050010, Almaty, Kazakhstan., Vologzhanina AV; X-Ray Structural Centre, A.N. Nesmeyanov Institute of Organoelement Compounds, RAS, 28 Vavilova str., 119991 Moscow, Russian Federation.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jan 11; Vol. 78 (Pt 2), pp. 164-168. Date of Electronic Publication: 2022 Jan 11 (Print Publication: 2022).
DOI: 10.1107/S2056989022000111
Abstrakt: The reaction of β-(thio-morpholin-1-yl)propio-amidoxime with tosyl chloride in CHCl 3 in the presence of DIPEA when heated at 343 K for 8 h afforded the title hydrated salt, C 7 H 14 N 3 S + ·Cl - ·H 2 O, in 84% yield. This course of the tosyl-ation reaction differs from the result of tosyl-ation obtained for this substrate at room temperature, when only 2-amino-8-thia-1,5-di-aza-spiro-[4.5]dec-1-ene-5-ammonium tosyl-ate 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 mol-ecules and amine groups of the cations form two-periodic hydrogen-bonded networks with the fes topology.
(© Kayukova et al. 2022.)
Databáze: MEDLINE
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