(IUCr) Crystallography Journals Online

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Acta Cryst. (2008). E64, o663-o664 [ doi:10.1107/S1600536808005552 ]

Methyl 2-{[(4-hydroxyphenyl)(methoxycarbonyl)methyl]aminocarbonyl}ethanoate hemihydrate

M. F. Mohammat, Z. Shaameri, A. S. Hamzah, N. Kamarulzaman, H.-K. Fun and S. Chantrapromma

Abstract: In the structure of the title compound, C₁₃H₁₅NO₆·0.5H₂O, the water O atom lies on a twofold rotation axis. The methoxycarbonylmethyl and amino groups are essentially coplanar and the methoxycarbonylmethyl group makes a dihedral angle of 79.73 (10)° with the mean plane of the hydroxyphenyl ring. The amino and methoxycarbonylmethyl groups are involved in an intramolecular N-HO hydrogen bond which generates an S(5) ring motif. In the crystal structure, molecules are linked via N-HO and O-HO hydrogen bonds and weak C-HO interactions into a two-dimensional network parallel to the ( $\overline{2}$ 01) plane. The crystal structure is further stabilized by C-H [pi] interactions.

Online 5 March 2008