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

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).

SUBMITTER: Sarkar A

PROVIDER: S-EPMC3247383 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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

Sarkar Anindita A Cukrowski Ignacy I

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

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). ...[more]

PMID: 22220001

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