Crystal structure of diaqua(μ2-triethyl-enetetraminehexaacetato) dizinc tetra-hydrate

Huan Liu; Li Ping Lu; William Thomas Alexander Harrison

doi:10.1107/S2056989015002108

Crystal structure of diaqua(μ₂-triethyl-enetetraminehexaacetato) dizinc tetra-hydrate

Huan Liu, Li Ping Lu^*, William Thomas Alexander Harrison

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

The reaction of ZnO and triethylenetetraminehexaacetic acid (H₆TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn₂(C₁₈H₂₆N₄O₁₂)(H₂O)₂]·4H₂O. There is a centre of symmetry in the [Zn₂(H₂TTHA)(H₂O)₂] molecule in the crystalline state. Both Zn^II ions are octahedrally surrounded and bound by an N₂O₃ donor set from the H₂TTHA^4- anion and a water molecule; the N atoms are cis and the water molecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) Å. An intramolecular C - H⋯O interaction is observed and both carboxylate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O - H⋯O and C - H⋯O hydrogen bonds generating a three-dimensonal network.

Original language	English
Pages (from-to)	m55-m56
Number of pages	2
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	3
DOIs	https://doi.org/10.1107/S2056989015002108
Publication status	Published - 1 Mar 2015

Keywords

Binuclear ZnII complex
Crystal structure
Triethylenetetraminehexaacetic acid

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title = "Crystal structure of diaqua(μ2-triethyl-enetetraminehexaacetato) dizinc tetra-hydrate",

abstract = "The reaction of ZnO and triethylenetetraminehexaacetic acid (H6TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn2(C18H26N4O12)(H2O)2]·4H2O. There is a centre of symmetry in the [Zn2(H2TTHA)(H2O)2] molecule in the crystalline state. Both ZnII ions are octahedrally surrounded and bound by an N2O3 donor set from the H2TTHA4- anion and a water molecule; the N atoms are cis and the water molecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) {\AA}. An intramolecular C - H⋯O interaction is observed and both carboxylate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O - H⋯O and C - H⋯O hydrogen bonds generating a three-dimensonal network.",

keywords = "Binuclear ZnII complex, Crystal structure, Triethylenetetraminehexaacetic acid",

author = "Huan Liu and Lu, {Li Ping} and Harrison, {William Thomas Alexander}",

note = "Acknowledgements This work was supported financially by the National Natural Science Foundation of China (grant No. 21171109), SRFDP (grant No. 20121401110005), the Natural Science Foundation of Shanxi Province of China (grant No. 2011011009–1) and the Research Project supported by Shanxi Scholarship Council of China (grant No. 2013–026).",

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AU - Lu, Li Ping

AU - Harrison, William Thomas Alexander

N1 - Acknowledgements This work was supported financially by the National Natural Science Foundation of China (grant No. 21171109), SRFDP (grant No. 20121401110005), the Natural Science Foundation of Shanxi Province of China (grant No. 2011011009–1) and the Research Project supported by Shanxi Scholarship Council of China (grant No. 2013–026).

PY - 2015/3/1

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N2 - The reaction of ZnO and triethylenetetraminehexaacetic acid (H6TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn2(C18H26N4O12)(H2O)2]·4H2O. There is a centre of symmetry in the [Zn2(H2TTHA)(H2O)2] molecule in the crystalline state. Both ZnII ions are octahedrally surrounded and bound by an N2O3 donor set from the H2TTHA4- anion and a water molecule; the N atoms are cis and the water molecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) Å. An intramolecular C - H⋯O interaction is observed and both carboxylate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O - H⋯O and C - H⋯O hydrogen bonds generating a three-dimensonal network.

AB - The reaction of ZnO and triethylenetetraminehexaacetic acid (H6TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn2(C18H26N4O12)(H2O)2]·4H2O. There is a centre of symmetry in the [Zn2(H2TTHA)(H2O)2] molecule in the crystalline state. Both ZnII ions are octahedrally surrounded and bound by an N2O3 donor set from the H2TTHA4- anion and a water molecule; the N atoms are cis and the water molecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) Å. An intramolecular C - H⋯O interaction is observed and both carboxylate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O - H⋯O and C - H⋯O hydrogen bonds generating a three-dimensonal network.

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