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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Glycine zinc sulfate penta­hydrate: redetermination at 10 K from time-of-flight neutron Laue diffraction
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Glycine zinc sulfate penta­hydrate: redetermination at 10 K from time-of-flight neutron Laue diffraction

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摘要

Single crystals of glycine zinc sulfate penta­hydrate systematic name: hexa­aqua­zinc tetra­aquadiglycinezinc bis­(sulfate), Zn(H2O)6Zn(C2H5NO2)2(H2O)4(SO4)2, have been grown by isothermal evaporation from aqueous solution at room temperature and characterized by single-crystal neutron diffraction. The unit cell contains two unique ZnO6 octa­hedra on sites of symmetry -1 and two SO4 tetra­hedra with site symmetry 1; the octa­hedra comprise one tetra­aqua-diglycine zinc2+ ion (centred on one Zn atom) and one hexa­aqua­zinc2+ ion (centred on the other Zn atom); the glycine zwitterion, NH3+CH2COO−, adopts a monodentate coordination to the first Zn atom. All other atoms sit on general positions of site symmetry 1. Glycine forms centrosymmetric closed cyclic dimers due to N—H⋯O hydrogen bonds between the amine and carboxyl­ate groups of adjacent zwitterions and exhibits torsion angles varying from ideal planarity by no more than 1.2°, the smallest values for any known glycine zwitterion not otherwise constrained by a mirror plane. This work confirms the H-atom locations estimated in three earlier single-crystal X-ray diffraction studies with the addition of independently refined fractional coordinates and Uij parameters, which provide accurate inter­nuclear X—H (X = N, O) bond lengths and consequently a more accurate and precise depiction of the hydrogen-bond framework.

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