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Diaqua-bis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1'-ethyl-idenediphophonato-?O,O']zinc(II).

ABSTRACT: In the title complex, [Zn(C(5)H(9)NO(7)P(2))(2)(H(2)O)(2)], the zinc atom is coordinated by two bidentate zoledronate [zoledronate = (2-(1-imidazole)-1-hydr-oxy-1,1'-ethyl-idenediphophonate)] ligands and two water mol-ecules. The coordination number is 6. There is one half-mol-ecule in the asymmetric unit with the zinc atom located on a crystallographic inversion centre. 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. There are two intra-molecular O-H?O hydrogen bonds. The mol-ecules are linked into a chain by inter-molecular O-H?O hydrogen bonds. Adjacent chains are further linked by O-H?O hydrogen bonds involving the aqua ligands. An N-H?O inter-action is also observed.

SUBMITTER: Freire E

PROVIDER: S-EPMC2971396 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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Diaqua-bis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1'-ethyl-idenediphophonato-κO,O']zinc(II).

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)(2)], the zinc atom is coordinated by two bidentate zoledronate [zoledronate = (2-(1-imidazole)-1-hydr-oxy-1,1'-ethyl-idenediphophonate)] ligands and two water mol-ecules. The coordination number is 6. There is one half-mol-ecule in the asymmetric unit with the zinc atom located on a crystallographic inversion centre. The anion exists as a zwitterion with an overall charge of -1; the protonated nitro-gen in the ring has a positive charge and ...[more]

PMID: 21578164

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

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