Article

The crystal structure of calcium succinate monohydrate

Journal of Chemical Crystallography (Impact Factor: 0.48). 01/1994; 24(7):437-440. DOI: 10.1007/BF01666091

ABSTRACT The crystal structure of calcium succinate monohydrate, Ca(C4H4O4)H2O, has been determined by single crystal X-ray diffraction. The crystals are monoclinic witha=11.952(2),b=9.691(2),c=11.606(2), =108.81(1), space group C2/c,Z=8,V=1272.49 3,d

m
=1.80, andd

c
=1.818 Mg m–3. The structure was refined by full-matrix least-squares techniques toR=0.027,R

w
=0.040, for 829 reflections with13(I). Ca is coordinated to seven oxygen atoms, and the coordination polyhedron is best described as a pentagonal bipyramid. One carboxylate group in the succinate ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion and unidentate bridge bonds to two other Ca ions. The other carboxylate group is bonded to two Ca ions through unidentate bonds. The structure is highly polymeric. The general structural features are nearly identical to those of calcium adipate monohydrate.

0 Followers
 · 
124 Views
  • [Show abstract] [Hide abstract]
    ABSTRACT: The crystal structure of calcium glutarate monohydrate, Ca(C5H6O4). H2O, has been determined by single crystal X-ray diffraction. The crystals(1) are orthorhombic with a = 6.805(1) Angstrom, b = 18.486(2) Angstrom, c = 5.884(1) Angstrom, space group P2(1)2(1)2(1), Z = 4, V = 740.1(2) Angstrom(3), d(m) = 1.69, and d(c) = 1.688 Mg m(-3). The structure was refined by full-matrix least-squares techniques to R = 0.019, R(w) = 0.026, for 1198 reflections with I greater than or equal to 3 sigma(I). The absolute configuration was determined. Ca is coordinated to seven oxygen atoms and the coordination polyhedron is best described as pentagonal bipyramid. One carboxylate group of the glutarate ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion and unidentate bridge bonds to two other Ca ions. The other carboxylate group links to two Ca ions through unidentate bonds. The Ca-glutarate chains are packed approximately parallel to the b-axis, with the hydrocarbon chains sandwiched between the polar regions consisting of the Ca and carboxylate ions and water molecules.
    Zeitschrift für Kristallographie 01/1995; 210(3):199-201. DOI:10.1524/zkri.1995.210.3.199 · 1.26 Impact Factor
  • [Show abstract] [Hide abstract]
    ABSTRACT: The hydrothermal reactions of lead(II) acetate with carboxylic acids gave solids of composition [Pb(C4H4O4)] 1 (C4H4O4 = succinate); [Pb6O2(C14H9O3)8] 2 (C14H9O3 = benzoylbenzoate), [Pb(C8H4NO4)2(H2O)] 4 (C8H4NO4 = 2-nitrobenzoate) and [Pb(C8H3N2O6)2(H2O)] 5 (C8H3N2O6 = 3,5-dinitrobenzoate). The reaction of lead monoxide with trichloroacetic acid in hot wet toluene followed by filtration and cooling gave a solid of composition [Pb3(C2Cl3O2)6(H2O)3] 3. The compounds were characterised by X-ray single crystal structure determinations. Compounds 1, 3, 4 and 5 are polymeric whereas 2 is monomeric. The lead co-ordination number ranges from 5 to 8. Compound 2 is a novel hexanuclear lead(II) distorted octahedron containing two bridging oxide ligands.
    Journal of the Chemical Society Dalton Transactions 01/2001; DOI:10.1039/b103519n · 4.10 Impact Factor
  • [Show abstract] [Hide abstract]
    ABSTRACT: Two new coordination polymers based on 1,4,5,8-naphthalenetetracarboxylate (ntc) has been prepared by hydrothermal methods. Their crystal structures have been determined from synchrotron powder X-ray diffraction data. Ca2(C14H4O8)(H2O)2, CPO-13, is built around infinite chains of seven coordinated calcium atoms. Zn2(C14H4O8)(H2O)2, CPO-14, is isostructural with Mn2(C14H4O8)(H2O)2, and is built around infinite chains of corner sharing Zn octahedra. Crystal data for CPO-13: Triclinic space group P-1, with a=5.820a=5.820, b=6.759b=6.759, c=10.168 Åc=10.168 Å, α=72.32°α=72.32°, β=86.09°β=86.09°, γ=107.74°γ=107.74°, V=357.310 Å3V=357.310 Å3 and Z=1Z=1. Crystal data for CPO-14: Orthorhombic space group Pbam, with a=9.773a=9.773, b=7.060b=7.060, c=9.879 Åc=9.879 Å, V=681.729 Å3V=681.729 Å3 and Z=2Z=2. The thermal properties were investigated for both compounds. An unusual anisotropic thermal expansion for CPO-14 is caused by the carboxylate groups of the ntc anions gradually bending away from each other.
    Solid State Sciences 10/2006; 8(10). DOI:10.1016/j.solidstatesciences.2006.06.003 · 1.68 Impact Factor