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. 2012 May 1;68(Pt 5):o1559.
doi: 10.1107/S1600536812018193. Epub 2012 Apr 28.

Dimethyl 1-(3-hy-droxy-2-iodo-1-phenyl-prop-yl)-1H-1,2,3-triazole-4,5-dicarboxyl-ate

Dimethyl 1-(3-hy-droxy-2-iodo-1-phenyl-prop-yl)-1H-1,2,3-triazole-4,5-dicarboxyl-ate

Hoong-Kun Fun et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(15)H(16)IN(3)O(5), the central triazole ring is essentially planar (r.m.s deviation = 0.0034 Å) and makes a dihedral angle of 70.14 (5)° with the pendant benzene ring. The mean planes of the two meth-oxy-carbonyl groups make dihedral angles of 22.52 (7) and 40.93 (4)° with the triazole ring. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(18) loops. The dimers are linked by C-H⋯O and C-H⋯N inter-actions into sheets lying parallel to the ac plane.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with 50% probability displacement ellipsoids.
Fig. 2.
Fig. 2.
The crystal packing of the title compound. The dashed lines represent the hydrogen bonds. For clarity sake, hydrogen atoms not involved in hydrogen bonding have been omitted.

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