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The crystal structure of d-glucose 6-(sodium hydrogen-phosphate)

1985; Elsevier BV; Volume: 135; Issue: 2 Linguagem: Inglês

10.1016/s0008-6215(00)90770-5

1873-426X

Tadeusz Lis,

Synthesis of Organic Compounds

The title compound, when recrystallised from water, is monoclinic, space group P21, with a = 5.774(4), b = 7.189(5), c = 12.69(1) Å, β = 106.66(5)°, and Z = 2. The crystal structure was determined from three-dimensional X-ray diffraction data taken on an automatic diffractometer with CuKα, and refined by least-squares techniques to R = 0.034 for 977 reflexions. The pyranose ring adopts the 4C1 conformation. The conformation about the exocyclic C-5-C-6 bond is gauche-trans [the torsion angles O-6-C-6-C-5-O-5 and O-6-C-6-C-5-C-4 are 64.2(8) and −175.6(7)°, respectively], which is significantly different from the gauche-gauche geometry in d-glucose 6-(barium phosphate). The phosphate ester bond, P-O-6, is 1.584(3) Å. All of the oxygen-bonded hydrogen atoms are involved in intermolecular hydrogen-bonds.