Resolution of the chiral (1R,2S) enantiomer of cis-cyclohexane-1,2-dicarboxylic acid in the brucinium salt 2,3-dimethoxy-10-oxostrychnidinium (1R,2S)-2-carboxycyclohexane-1-carboxylate dihydrate
Data(s) |
2012
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Resumo |
The structure of the 1:1 brucinium salt of cis-cyclohexane-1,2-dicarboxylic acid, 2,3-dimethoxy-10-oxostrychnidinium (1R,2S)-2-carboxycyclohexane-1-carboxylate dihydrate, has revealed the resolved (1R,2S) enantiomer of the acid. Crystals of the compound are orthorhombic, space group P212121, with unit cell dimensions a = 8.1955(3), b = 12.4034(3), c = 29.9073(9)Å, and Z = 4. The asymmetric unit comprises the brucinium cation, the hydrogen cis-cyclohexane-1,2-dicarboxylate cation, in which the carboxylate group is disordered over two sites (58, 42%), and two water molecules of solvation, one of which is occupies two 50% occupancy sites. The classic undulating brucinium cation substructures are present with the anion and the water molecules occupying the interstitial cavities and are hydrogen-bonded to them in a two-dimensional network structure. |
Formato |
application/pdf |
Identificador | |
Publicador |
Springer |
Relação |
http://eprints.qut.edu.au/51201/1/CHDCBRUpre.pdf DOI:10.1007/s10870-012-0278-9 Smith, Graham, Wermuth, Urs D., & Williams, Michael L. (2012) Resolution of the chiral (1R,2S) enantiomer of cis-cyclohexane-1,2-dicarboxylic acid in the brucinium salt 2,3-dimethoxy-10-oxostrychnidinium (1R,2S)-2-carboxycyclohexane-1-carboxylate dihydrate. Journal of Chemical Crystallography, 42(6), pp. 555-559. |
Direitos |
Copyright 2012 Springer http://www.springerlink.com |
Fonte |
School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty |
Palavras-Chave | #030606 Structural Chemistry and Spectroscopy #crystal structure #brucine #cis-cyclohexane-1,2-dicarboxylic acid #resolution #proton-transfer |
Tipo |
Journal Article |