The title compounds, C16H16O5 （I） and C16H16O5·H2O （II）, were structurally characterized by single-crystal X-ray diffraction. Compound I crystallizes in monoclinic space group P21/c with a = 10.5574（10）, b ...The title compounds, C16H16O5 （I） and C16H16O5·H2O （II）, were structurally characterized by single-crystal X-ray diffraction. Compound I crystallizes in monoclinic space group P21/c with a = 10.5574（10）, b = 8.3576（9）, c = 16.5528（16） A, β = 91.762（3）°, Z = 4, R = 0.0524 and wR = 0.1084. The molecules are jointed into a chain by intermolecular O-H···O and C-H···O hydrogen bonds, which form layers parallel to （001）. The chains run along the [110] and [110] directions alternatively layer by layer, and are assembled into a network by intermolecular O-H···O （carboxyl） hydrogen bonds. On the other hand, the hydrate complex （II） crystallizes in the triclinic space group P1 with a = 5.1451（2）, b = 10.4583（4）, c = 14.8267（5） , α = 70.900（2）, β = 82.478（2）, γ = 81.359（2）°, Z = 2, R = 0.0393 and wR = 0.0983. The molecules are linked into infinite two-dimensional ribbons by O-H···O （carbonyl） and solvent-bridged O-H···O hydrogen bonds.展开更多
基金Supported by Scientific Research Fund of Hunan Provincial Education Department (No. 09B083)the Natural Science Foundation of Hunan Province (No. 06JJ2067)
文摘The title compounds, C16H16O5 （I） and C16H16O5·H2O （II）, were structurally characterized by single-crystal X-ray diffraction. Compound I crystallizes in monoclinic space group P21/c with a = 10.5574（10）, b = 8.3576（9）, c = 16.5528（16） A, β = 91.762（3）°, Z = 4, R = 0.0524 and wR = 0.1084. The molecules are jointed into a chain by intermolecular O-H···O and C-H···O hydrogen bonds, which form layers parallel to （001）. The chains run along the [110] and [110] directions alternatively layer by layer, and are assembled into a network by intermolecular O-H···O （carboxyl） hydrogen bonds. On the other hand, the hydrate complex （II） crystallizes in the triclinic space group P1 with a = 5.1451（2）, b = 10.4583（4）, c = 14.8267（5） , α = 70.900（2）, β = 82.478（2）, γ = 81.359（2）°, Z = 2, R = 0.0393 and wR = 0.0983. The molecules are linked into infinite two-dimensional ribbons by O-H···O （carbonyl） and solvent-bridged O-H···O hydrogen bonds.
