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. 2011 Nov;67(Pt 11):o2980.
doi: 10.1107/S1600536811042206. Epub 2011 Oct 22.

Tris(dicyclo-hexyl-ammonium) hydrogen [1-hy-droxy-2-(1H-imidazol-1-yl)-1-phospho-natoethane]-phospho-nate ethanol monosolvate mono-hydrate

Anindita Sarkar  1 , Ignacy Cukrowski
Affiliations

Tris(dicyclo-hexyl-ammonium) hydrogen [1-hy-droxy-2-(1H-imidazol-1-yl)-1-phospho-natoethane]-phospho-nate ethanol monosolvate mono-hydrate

Anindita Sarkar et al. Acta Crystallogr Sect E Struct Rep Online. 2011 Nov.

Abstract

In the title compound, 3C(12)H(24)N(+)·C(5)H(7)N(2)O(7)P(2) (3-)·C(2)H(6)O·H(2)O, the zoledronic acid mol-ecule is singly protonated and stabilized by an intra-molecular O-H⋯O inter-action. The three-dimensional crystal structure is stabilized by inter-molecular O-H⋯O, O-H⋯N and N-H⋯O inter-actions. The ethanol solvent mol-ecule is disordered over two positions; the site-occupancy factor of the major component is 0.510 (4).

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Figures

Fig. 1.
Fig. 1.
Molecular structure with atom labels and 50% displacement ellipsoids. The C—H atom of the cyclohexyl groups and the disordered ethanol molecule have been omitted for reasons of clarity.
Fig. 2.
Fig. 2.
Hydrogen-bonded network of the molecule. Hydrogen bonds are shown as dashed lines.
See this image and copyright information in PMC

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