Synthesis and Crystal Structure of 3,3 '-(2,2 '-(E thane- 1,2-diylbis(oxy) ) bis(ethane- 2,1- diyl))bis(2-(4-chlorophenylamino)quinazolin-4(3H)-one) |
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作者姓名: | YANG Xu-Hong ;WU Ming-Hu ;XIA Qing-Hua |
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作者单位: | [1]Faculty of Chemistry and Life Sciences, Xianning College, Xianning 437100, China; [2]Mmtstry-of-educatton Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Hubei University, Wuhan 430062, China |
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基金项目: | The project was supported by the Open Fund of Ministry-of-education Key Laboratory for the Synthesis and Application of Organic Functional Molecules (No. 2006-KL-013) |
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摘 要: | The title compound 3,3'-(2,2'-(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2- (4-chlorophenylamino)quinazolin-4(3H)-one) 3 (C34H30CI2N604, Mr = 657.54) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in space group P1 with a = 9.9185(8), b = 10.6124(9), c = 15.4064(13) A, α = 92.896(2),β = 103.813(2), γ= 94.635(2)°, V= 1565.5(2) A3, Z = 2, Dc = 1.395 g/cm^3,μ = 0.257 mm^-1, F(000) = 684, the final R = 0.0580 and wR = 0.1284 for 3400 observed reflections (I〉 2σ(I). It remains triclinic in the crystal. Intra- and intermolecular N(3)-H(3A)…O(2), N(6)-H(6A)…O(3) and C(19)-H(19A)…O(4) #1 (#1: 1-x, 1-y, -z) hydrogen bonds are observed in the title compound. A two-dimensional chain network is formed from the dimmers and intermolecular π-π interactions in the crystal structure. This open network has solvent-accessible voids (10A3).
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关 键 词: | 晶体结构测定 喹唑啉 乙烷 合成 氧气 小时 单晶X射线衍射分析 标题化合物 |
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