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Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1'-ethylidenediphophonato-?O,O']zinc(II) dihydrate.

ABSTRACT: In the title complex, [Zn(C(5)H(9)NO(7)P(2))(2)(H(2)O)]·2H(2)O, the zinc atom is coordinated by two zoledronate anions [zoledronate = (2-(1-imidazole)-1-hydr-oxy-1,1'-ethyl-idenediphophonate)] and one water mol-ecule. The coordination number is 5. There is one half-mol-ecule in the asymmetric unit, the zinc atom being located on a twofold rotation axis passing through the metal centre and the coordinating water O atom. The anion exists as a zwitterion with an overall charge of -1; the protonated nitro-gen in the ring has a positive charge and the two phospho-nates groups each have a single negative charge. Inter-molecular O-H?O hydrogen bonds link the mol-ecules. An N-H?O inter-action is also present.

SUBMITTER: Freire E

PROVIDER: S-EPMC2971399 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1'-ethylidenediphophonato-κO,O']zinc(II) dihydrate.

Freire Eleonora E Vega Daniel R DR

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

In the title complex, [Zn(C(5)H(9)NO(7)P(2))(2)(H(2)O)]·2H(2)O, the zinc atom is coordinated by two zoledronate anions [zoledronate = (2-(1-imidazole)-1-hydr-oxy-1,1'-ethyl-idenediphophonate)] and one water mol-ecule. The coordination number is 5. There is one half-mol-ecule in the asymmetric unit, the zinc atom being located on a twofold rotation axis passing through the metal centre and the coordinating water O atom. The anion exists as a zwitterion with an overall charge of -1; the protonated ...[more]

PMID: 21578165

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