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. 2008 Mar 5;64(Pt 4):o663-4.
doi: 10.1107/S1600536808005552.

Methyl 2-{[(4-hydroxy-phen-yl)(methoxy-carbon-yl)meth-yl]amino-carbon-yl}ethano-ate hemihydrate

M Fazli Mohammat, Zurina Shaameri, A Sazali Hamzah, N Kamarulzaman, Hoong-Kun Fun, Suchada Chantrapromma

Methyl 2-{[(4-hydroxy-phen-yl)(methoxy-carbon-yl)meth-yl]amino-carbon-yl}ethano-ate hemihydrate

M Fazli Mohammat et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the structure of the title compound, C(13)H(15)NO(6)·0.5H(2)O, the water O atom lies on a twofold rotation axis. The methoxy-carbonyl-methyl and amino groups are essentially coplanar and the methoxy-carbonyl-methyl group makes a dihedral angle of 79.73 (10)° with the mean plane of the hydroxy-phenyl ring. The amino and methoxy-carbonyl-methyl groups are involved in an intra-molecular N-H⋯O hydrogen bond which generates an S(5) ring motif. In the crystal structure, mol-ecules are linked via N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions into a two-dimensional network parallel to the (01) plane. The crystal structure is further stabilized by C-H⋯π inter-actions.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I), showing 50% probability displacement ellipsoids and the atomic numbering. N—H···O hydrogen bonds are drawn as dashed lines.
Fig. 2.
Fig. 2.
The crystal packing of (I), viewed along the [102] direction. Hydrogen bonds are drawn as dashed lines.
See this image and copyright information in PMC

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