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. 2008 Sep 30;64(Pt 10):o2045.
doi: 10.1107/S1600536808030948.

Methyl 3-hydr-oxy-4-oxo-3,4-dihydro-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide monohydrate

Muhammad Nadeem Arshad, M Nawaz Tahir, Islam Ullah Khan, Muhammad Shafiq, Waseeq Ahmad Siddiqui

Methyl 3-hydr-oxy-4-oxo-3,4-dihydro-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide monohydrate

Muhammad Nadeem Arshad et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the mol-ecule of the title compound, C(10)H(9)NO(6)S·H(2)O, the benzothia-zine ring adopts an envelope conformation. An intra-molecular N-H⋯O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules to form a three-dimensional network. There is a π-π contact between the benzene rings [centroid-centroid distance = 3.972 (2) Å].

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are shown as dotted lines.
Fig. 2.
Fig. 2.
A packing diagram of the title compound. Hydrogen bonds are shown as dashed lines.
See this image and copyright information in PMC

References

    1. Allen, F. H. (2002). Acta Cryst. B58, 380–388. - PubMed
    1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1–19.
    1. Antsyshkina, A. S., Sadikov, G. G., Korshunov, O. Yu., Anpilova, E. L., Bicherov, A. S., Sergienko, V. S., Uflyand, I. E. & Garnovskii, A. D. (2003). Russ. J. Coord. Chem.29, 724–731.
    1. Bruker (2005). SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Bruker (2007). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.