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| Synthesis and Molecular Structure of 3-（p-Methoxyphenyl）-4-hydroxymethyl-6-bromo- 7-hydroxycoumarin Co-crystallized with Methanol | |
| 引用本文： | JIANG Hao ZOU Hao XIA Peng ZHANG Qian. Synthesis and Molecular Structure of 3-（p-Methoxyphenyl）-4-hydroxymethyl-6-bromo- 7-hydroxycoumarin Co-crystallized with Methanol[J]. 结构化学, 2008, 27(12): 1423-1426 |
| 作者姓名： | JIANG Hao ZOU Hao XIA Peng ZHANG Qian |
| 作者单位： | Department of Medicinal Chemistry，School of Pharmacy，Fudan University |
| 基金项目： | 国家自然科学基金，Graduate Innovative Research Foundation of Fudan University |
| 摘 要： | The title compound, C18H17BrO6 （Mr = 409.23）, was synthesized as angiogenesis inhibitor and structurally characterized by ^1H-NMR, ^13C-NMR, MS, elemental analysis and X-ray single-crystal diffraction. Structure analysis indicates that the title compound is of triclinic, space group P1^-, with a = 8.100（3）, b = 10.536（4）, c = 11.689（5）A, a = 67.405（7）, βl = 69.736（3）, γ = 88.510（5）°, V = 857.3（5） A^3, Z = 2, Dc = 1.585 g/cm^3, μ = 2.429 mm^-1, F（000） = 416, the finial R = 0.0356 and wR = 0.0929 for 2541 observed reflections. The bond lengths of C（7）-C（16） proved that the title compound possesses coumarin rather than flavone scaffold. |
| 关 键 词： | 香豆素 晶体结构 血管发生 抑制剂 甲醇 |
Synthesis and Molecular Structure of 3-(p-Methoxyphenyl)-4-hydroxymethyl-6-bromo-7-hydroxycoumarin Co-crystallized with Methanol |
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| JIANG Hao,ZOU Hao,XIA Peng,ZHANG Qian. Synthesis and Molecular Structure of 3-(p-Methoxyphenyl)-4-hydroxymethyl-6-bromo-7-hydroxycoumarin Co-crystallized with Methanol[J]. Chinese Journal of Structural Chemistry, 2008, 27(12): 1423-1426 | |
| Authors: | JIANG Hao ZOU Hao XIA Peng ZHANG Qian |
| Affiliation: | Department of Medicinal Chemistry, School of Pharmacy,Fudan University, Shanghai 200032, China |
| Abstract: | The title compound, C18H17BrO6 (Mr = 409.23), was synthesized as angiogenesis inhibitor and structurally characterized by 1H-NMR, 13C-NMR, MS, elemental analysis and X-ray single-crystal diffraction. Structure analysis indicates that the title compound is of triclinic, space group P(-1), with a = 8.100(3), b = 10.536(4), c = 11.689(5)(A), α = 67.405(7), β = 69.736(3), γ = 88.510(5)°, V = 857.3(5)(A)3, Z = 2, Dc = 1.585 g/cm3, μ = 2.429 mm-1, F(000) = 416, the finial R = 0.0356 and wR = 0.0929 for 2541 observed reflections. The bond lengths of C(7)-C(16) proved that the title compound possesses coumarin rather than flavone scaffold. |
| Keywords: | coumarin crystal structure angiogenesis inhibitor |
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