Complex transitions between dihydrate and anhydrate forms of ectoine - unexpected behavior of a highly hygroscopic compatible solute in the solid state

The crystalline dihydrate of the compatible solute ectoine undergoes a loss of water at ambient conditions and transforms into a highly hygroscopic anhydrate form. This unexpected transition is studied combining single-crystal and powder X-ray, single crystal neutron diffraction measurements and qua...

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Veröffentlicht in:CrystEngComm 2020-01, Vol.22 (2), p.169-172
Hauptverfasser: Hützler, Wilhelm Maximilian, Mossou, Estelle, Vollrath, Ronnald, Kohagen, Miriam, El Ghrissi, Imadine, Grininger, Martin, Zaccai, Giuseppe, Smiatek, Jens, Oesterhelt, Dieter
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container_end_page 172
container_issue 2
container_start_page 169
container_title CrystEngComm
container_volume 22
creator Hützler, Wilhelm Maximilian
Mossou, Estelle
Vollrath, Ronnald
Kohagen, Miriam
El Ghrissi, Imadine
Grininger, Martin
Zaccai, Giuseppe
Smiatek, Jens
Oesterhelt, Dieter
description The crystalline dihydrate of the compatible solute ectoine undergoes a loss of water at ambient conditions and transforms into a highly hygroscopic anhydrate form. This unexpected transition is studied combining single-crystal and powder X-ray, single crystal neutron diffraction measurements and quantum mechanical calculations. Overall, our study provides a rationale for the important uptake and loss of water by ectoine in the solid state. Crystallizing the compatible solute ectoine from water yields a metastable dihydrate that readily degrades to a highly hygroscopic anhydrate at ambient conditions; this strange behavior is examined and a rationale is presented.
doi_str_mv 10.1039/c9ce01599j
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source Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
subjects Crystallography
Crystals
Hygroscopicity
Neutron diffraction
Quantum mechanics
Single crystals
Solid state
title Complex transitions between dihydrate and anhydrate forms of ectoine - unexpected behavior of a highly hygroscopic compatible solute in the solid state
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