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(R)-Mandelic acid (S)-alanine hemihydrate

Crystals of the title complex, C3H7NO2·C8H8O3·0.5H2O, were obtained from an aqueous solution containing racemic mandelic acid and (S)‐alanine. The unit cell includes two independent molecular complexes and one water molecule. The structure formed by (R)‐mandelic acid and (S)‐alanine in a 1:1 molar r...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2002-10, Vol.58 (10), p.o612-o614
Main Authors: Hu, Zi-Qiang, Xu, Duan-Jun, Xu, Yuan-Zhi, Wu, Jing-Yun, Chiang, Michael Y.
Format: Article
Language:English
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Summary:Crystals of the title complex, C3H7NO2·C8H8O3·0.5H2O, were obtained from an aqueous solution containing racemic mandelic acid and (S)‐alanine. The unit cell includes two independent molecular complexes and one water molecule. The structure formed by (R)‐mandelic acid and (S)‐alanine in a 1:1 molar ratio shows the successful optical separation of racemic mandelic acid. Strong hydrogen bonding, with a rather short O⋯O separation of 2.494 (3) Å, is observed between the carboxyl and carboxyl­ate groups. A structural comparison suggests that the strong hydrogen bonding affects the neighbouring covalent bond.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270102015688