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首页> 外文期刊>Crystallography reports >Molecular structures of chalcone podands: A prognosis of photoinduced transformations in the crystals
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Molecular structures of chalcone podands: A prognosis of photoinduced transformations in the crystals

机译：查耳酮荚果的分子结构：晶体中的光诱导转变的预后。

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A series of chalcone podands with the propenone group in the ortho position of the bridging aryl substituent with respect to the oxyethylene fragment is synthesized. The influence of the preorganization of the chalcone podand molecules in crystals on their ability to participate in topochemical reactions is investigated. From analyzing the X-ray structural data, the highest probability of the solid-state photochemical [2 + 2]cycloaddition is predicted for podands with phenyl substituents and the oxyethylene fragment containing two or three oxygen atoms. The X-ray structural data for the chalcone podand C32H26O4 (3a) are as follows: a = 7.904(9) A..., b = 14.92(2) A..., c = 21.30(3) A..., beta = 91.7(1)A degrees, monoclinic system, space group P2(1)/c, Z = 4, V = 2510(5) A...(3), rho = 1.26 g/cm(3), and R = 0.046; C34H30O5 (3b): a = 15.738(9) A..., b = 11.889(2) A..., c = 15.0830(15) A..., beta = 105.47(14)A degrees, monoclinic system, space group C2/c, Z = 4, V = 2720.0(9) A...(3), rho = 1.266 g/cm(3), and R = 0.0418; C32H24N2O8 (4a): a = 17.9416(18) A..., b = 10.9703(8) A..., c = 41.699(2) A..., beta = 105.970(11)A degrees, monoclinic system, space group P2(1)/c, Z = 4, V = 2781.4(5) A...(3), rho = 1.348 g/cm(3), and R = 0.0426; C36H32N2O10 (4c): a = 7.6286(5)A..., b = 17.9398(10) A..., c = 11.5890(3)A..., beta = 95.287(4)A degrees, monoclinic system, space group P2(1), Z = 2, V = 1579.27(14) A...(3), rho = 1.372 g/cm(3), and R = 0.0377; and C28H22O6 (5a): a = 15.6032(10) A..., b = 8.1131(5) A..., c = 17.7334(11) A..., beta = 91.381(5)A degrees, monoclinic system, space group C2/c, Z = 4, V = 2244.2(2) A...(3), rho = 1.345 g/cm(3), and R = 0.0309.
机译：合成一系列在桥联的芳基取代基相对于氧化乙烯片段的邻位具有丙烯酮的查耳酮荚兰。研究了查耳酮荚膜分子在晶体中的预组织对其参与拓扑化学反应的能力的影响。通过分析X射线结构数据，可以预测具有苯基取代基的Podands和含有两个或三个氧原子的氧乙烯片段的固态光化学[2 + 2]环加成的最高可能性。查尔酮荚果C32H26O4（3a）的X射线结构数据如下：a = 7.904（9）A ...，b = 14.92（2）A ...，c = 21.30（3）A ... ，beta = 91.7（1）A度，单斜系统，空间群P2（1）/ c，Z = 4，V = 2510（5）A ...（3），rho = 1.26 g / cm（3），和R = 0.046; C34H30O5（3b）：a = 15.738（9）A ...，b = 11.889（2）A ...，c = 15.0830（15）A ...，β= 105.47（14）A度，单斜系统，空间组C2 / c，Z = 4，V = 2720.0（9）A ...（3），rho = 1.266 g / cm（3），R = 0.0418; C32H24N2O8（4a）：a = 17.9416（18）A ...，b = 10.9703（8）A ...，c = 41.699（2）A ...，beta = 105.970（11）A度，单斜系统，空间组P2（1）/ c，Z = 4，V = 2781.4（5）A ...（3），rho = 1.348 g / cm（3），R = 0.0426; C36H32N2O10（4c）：a = 7.6286（5）A ...，b = 17.9398（10）A ...，c = 11.5890（3）A ...，beta = 95.287（4）A度，单斜系统，空间组P2（1）/ n，Z = 2，V = 1579.27（14）A ...（3），rho = 1.372 g / cm（3），R = 0.0377;和C28H22O6（5a）：a = 15.6032（10）A ...，b = 8.1131（5）A ...，c = 17.7334（11）A ...，beta = 91.381（5）A度，单斜系统，空间组C2 / c，Z = 4，V = 2244.2（2）A ...（3），rho = 1.345 g / cm（3）和R = 0.0309。

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