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Sodium (1R,2S,5S)-2-hydroxy-6,6dimethylbicyclo[3.1.1]heptane-2carboxylate pentahydrate

By Shi-ying Ma, A Ze-bao Zheng A and Ji-kun Li B


R factor = 0.042; wR factor = 0.106; data-to-parameter ratio = 8.5. In the title compound, Na + C10H15O3 5H2O, the vertices of a distorted octahedron centred on the Na + cation are defined by six O atoms of water molecules. The edge-sharing Na(H2O)6 octahedra form a chain extended along the b-axis direction with adjacent Na + cations related by a twofold screw symmetry operation. The organic anion, which is not in close contact with the Na + cation, is hydrogen-bonded to an uncoordinated water molecule and to water molecules of the Na(H2O)6 octahedra. Related literature For a crystal structure with similar chains of edge-sharing Na(H2O)6 octahedra, see: Huang et al. (2005). Z =2 Mo K radiation = 0.13 mm 1 Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.981, T max = 0.98

Year: 2007
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