title: Sugar interaction with metal ions. Crystal structure and FT-IR spectroscopic study of strontium galactarate mono-hydrate.
abstract: The crystal structure of strontium galactarate mono-hydrate, Sr2+ x C6H8O8(2-) x H2O, Mr = 313.76, monoclinic, P2(1)/c, a = 10.268(2), b = 10.333(2), c = 10.194(2) A, beta = 117.87(3) degrees, lambda(Mo K alpha) = 0.71073 A, Z = 4, Dx = 2.180 Mg m(-3), V = 956.1(3) A3, mu = 5.676 mm(-1), F(000) = 624, T = 293(2) K, R = 0.0260 for 1690 observed reflections and 145 parameters refined, has been determined. The galactarate ion is centro-symmetrical in the crystal structure, although it contains independent half-ions. The Sr2+ ion is nine-coordinated (tricapped trigonal prism) with five Sr-O bonds from carboxylic groups, and four from hydroxyl groups. The water molecule does not take part in the coordination. Six hydrogen bonds are formed, three of them related to the water molecule. The spectroscopic evidence shows that the carboxylic acid dimers of the free acid dissociate. The asymmetric stretching vibrations of the anionic COO groups in the salt are observed at 1609 and 1548, and 1581 cm(-1), assigned to a mono-dentate and a tetra-dentate coordination, respectively. The symmetric stretching vibration is located at 1397 cm(-1). The hydroxyl groups of the galactarate skeleton take part in the metal-oxygen interaction, and the hydrogen-bonding network is rearranged upon sugar metalation.
authors.affiliation: Department of Chemistry, Peking University-The University of Hong Kong Joint Laboratory in Rare Earth Materials and Bioinorganic Chemistry, Beijing, PR China.
authors.forename: W
authors.initials: W
authors.lastname: Tian
authors.forename: S
authors.initials: S
authors.lastname: Cheng
authors.forename: L M
authors.initials: LM
authors.lastname: Yang
authors.forename: X L
authors.initials: XL
authors.lastname: Jin
authors.forename: S F
authors.initials: SF
authors.lastname: Weng
authors.forename: J G
authors.initials: JG
authors.lastname: Wu
mesh_terms: D002241:Carbohydrates / Q000737:chemistry*; D018360:Crystallography, X-Ray; D017665:Hydroxyl Radical / Q000737:chemistry; D015394:Molecular Structure; D017550:Spectroscopy, Fourier Transform Infrared; D013324:Strontium / Q000737:chemistry*; D013400:Sugar Acids / Q000737:chemistry*
chemical_list: D002241:Carbohydrates; D013400:Sugar Acids; D017665:Hydroxyl Radical; C000090:galactaric acid; D013324:Strontium