| Structures of 1-（3,4-Dihydroxyphenyl）-2-（3,4-dimethoxyphenyl） ethanone and Its Hydrate Complex |
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| 引用本文： | 肖竹平,张芳,朱建,梁文德,易守福,彭晓春,朱海亮. Structures of 1-（3,4-Dihydroxyphenyl）-2-（3,4-dimethoxyphenyl） ethanone and Its Hydrate Complex[J]. 结构化学, 2011, 30(3): 330-335 |
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| 作者姓名： | 肖竹平 张芳 朱建 梁文德 易守福 彭晓春 朱海亮 |
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| 作者单位： | XIAO Zhu-Ping,ZHU Hai-Liang(School of Chemistry & Chemical Engineering,Jishou University, Jishou 416000, China; State Key Laboratory of Pharmaceutical Biotechnology,Nanjing University, Nanjing 210093, China);ZHANG Fang,ZHU Jian,LIANG Wen-De,YI Shou-Fu,PENG Xiao-Chun(School of Chemistry & Chemical Engineering,Jishou University, Jishou 416000, China) |
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| 基金项目： | Supported by Scientific Research Fund of Hunan Provincial Education Department (No. 09B083); the Natural Science Foundation of Hunan Province (No. 06JJ2067) |
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| 摘 要： | 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) , 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.
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| 关 键 词： | 二羟基苯基 水合物 二甲氧基苯基 结构 标题化合物 分子连接 乙酮 射线衍射 |
Structures of 1-(3,4-Dihydroxyphenyl)-2-(3,4-dimethoxyphenyl) ethanone and Its Hydrate Complex |
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| XIAO Zhu-Ping,ZHANG Fang,ZHU Jian,LIANG Wen-De,YI Shou-Fu,PENG Xiao-Chun,ZHU Hai-Liang. Structures of 1-(3,4-Dihydroxyphenyl)-2-(3,4-dimethoxyphenyl) ethanone and Its Hydrate Complex[J]. Chinese Journal of Structural Chemistry, 2011, 30(3): 330-335 |
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| Authors: | XIAO Zhu-Ping ZHANG Fang ZHU Jian LIANG Wen-De YI Shou-Fu PENG Xiao-Chun ZHU Hai-Liang |
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| Abstract: | 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 [l(l)0] 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 P(1) with a = 5.1451(2), b = 10.4583(4), c = 14.8267(5) (A), 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. |
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| Keywords: | deoxybenzoins hydrate complex crystal structure hydrogen bond |
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