Crystal structure, spectral and thermal properties of potassium p-nitrobenzoxasulfamate monohydrate

Bekdemir Y., Kutuk H., Celik S., YILMAZ V. T., Thoene C.

JOURNAL OF MOLECULAR STRUCTURE, vol.604, no.2-3, pp.239-244, 2002 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 604 Issue: 2-3
  • Publication Date: 2002
  • Doi Number: 10.1016/s0022-2860(01)00659-7
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.239-244
  • Keywords: benzoxasulfamate, 3H-6-nitro-1,2,3-benzoxathiazole 2,2-dioxide, cyclic sulfamate, crystal structure, spectra, thermal analysis, 1,2,3-BENZOXATHIAZOLE 2,2-DIOXIDES, NUCLEOPHILES, MECHANISM
  • Karadeniz Technical University Affiliated: No


The potassium p-nitrobenzoxasulfamate monohydrate salt (C6H3N2O5SK.H2O), was prepared by the reaction of p-nitrobenzoxasulfamate with t-BuOK in the water-THF solution and characterized by C, H, N, S analyses, IR, UV-VIS and H-1 NMR spectroscopy. The structure of the compound has been determined by single-crystal X-ray diffraction. The compound crystallizes in orthorhombic system, space group P2(1)2(1)2(1), with Z = 8. The structure consists of chains formed by K polyhedra connected by sulfonyl, nitro and amine groups of the p-nitrobenzoxasulfamate anion and lattice water molecules. Thermal decomposition behavior of the compound was studied by DTA and TG techniques. (C) 2002 Elsevier Science B.V. All rights reserved.