title: Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate.
abstract: There has been much interest in obtaining crystals for crystallographic analysis of biologically active glucosinolates. Crystals of potassium (2,3-dichlorophenyl)glucosinolate were obtained as a dual solvate, containing one methanol and one ethanol molecule of crystallization, K(+)·C13H14Cl2NO9S2(-)·CH3OH·C2H5OH. The three-dimensional polymeric network consists of chains containing the potassium ions coordinated and bridged by sugar O atoms, which run parallel to the a axis and are further crosslinked through the sugar molecules. The channels of this network are occupied by the dichlorophenyl substituents and the ethanol and methanol solvent molecules. The structure of the S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dichlorophenylacetothiohydroxymate, C21H23Cl2NO10S, precursor has also been determined and the β-configuration and Z isomer of the thiohydroximate substituent is confirmed.
authors.affiliation: Department of Chemistry, La Trobe University, Victoria 3086, Australia.
authors.forename: Quan V
authors.initials: QV
authors.lastname: Vo
authors.affiliation: Department of Primary Industries, Knoxfield Centre, 621 Burwood Highway, Knoxfield 3180, Australia.
authors.forename: Craige
authors.initials: C
authors.lastname: Trenerry
authors.affiliation: Department of Primary Industries, Victorian AgriBiosciences Centre, La Trobe University Research and Development Park, 1 Park Drive, Bundoora 3083, Victoria, Australia.
authors.forename: Simone
authors.initials: S
authors.lastname: Rochfort
authors.affiliation: Bio21 Institute, School of Chemistry, University of Melbourne, Parkville, Victoria 3010, Australia.
authors.forename: Jonathan
authors.initials: J
authors.lastname: White
authors.affiliation: Department of Chemistry, La Trobe University, Victoria 3086, Australia.
authors.forename: Andrew B
authors.initials: AB
authors.lastname: Hughes
keywords: 2,3-dichlorophenylglucosinolate; biologically active compounds; crystal structure; natural products; β-thioglucoside N-hydroxysulfates