Back to Search Start Over

Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study

Authors :
Takuro Kawasaki
Miwako Takahashi
Ryoji Kiyanagi
Takashi Ohhara
Source :
Acta Crystallographica Section C Structural Chemistry. 78:743-748
Publication Year :
2022
Publisher :
International Union of Crystallography (IUCr), 2022.

Abstract

Structural changes of the raffinose crystal on dehydration from the pentahydrate to the tetrahydrate were investigated by single-crystal time-of-flight neutron diffraction. It was revealed that during the dehydration, rearrangement occurs in the hydrogen bonds related to the lost water molecule, while the symmetry of the crystal structure is retained. The hydrogen-bonding status of raffinose pentahydrate and tetrahydrate were discussed comprehensively according to Jeffrey's hydrogen-bonding classification. It was shown that the water molecules are hydrogen bonded to the surrounding molecules by moderate O—H...O hydrogen bonds and weak C—H...O hydrogen bonds, and the number of these two types of hydrogen bonds determines the water molecules that are removed by dehydration. The lattice constant c showed a significant decrease on dehydration and further dehydration leads to loss of crystallinity of the raffinose crystals.

Details

ISSN :
20532296
Volume :
78
Database :
OpenAIRE
Journal :
Acta Crystallographica Section C Structural Chemistry
Accession number :
edsair.doi.dedup.....bca5ebd6cec85db1ef18f00f26f838c3
Full Text :
https://doi.org/10.1107/s2053229622010828