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首页> 外文期刊>Chinese Journal of Structural Chemistry >Synthesis and Crystal Structure of Tetraethyl syn-1,5,8,8bβ-Tetrahydrocyclobuta[1,2-b:3,4-b′]dipydine-3,4aβ,7,8aβ(4H,4bβH)-tetracarboxylate
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Synthesis and Crystal Structure of Tetraethyl syn-1,5,8,8bβ-Tetrahydrocyclobuta[1,2-b:3,4-b′]dipydine-3,4aβ,7,8aβ(4H,4bβH)-tetracarboxylate

机译:四乙基syn-1,5,8,8bβ-四氢环丁基[1,2-b:3,4-b']dipydine-3,4aβ,7,8aβ(4H,4bβH)-四羧酸酯的合成和晶体结构

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摘要

The synthesis of syn-photodimer from 1,4-dihydropyridine without 4-aryl was studied, and its single crystal was obtained (C_(22)H_(30)N_2O_8, M_r = 450.48). It crystallizes in monoclinic, space group P2_1/c with a = 11.937(2), b = 20.913(4), c = 9.763(2) A, β = 108.46(3)°, V = 2311.9(8) A~3, Z = 4, D_c = 1.294 g/cm~3, F(000) = 960, μ = 0.099 mm~(-1), R = 0.0640 and wR = 0.1464 for 4077 unique reflections with 1598 observed ones (Ⅰ > 2σ(Ⅰ)). It is shown that the whole molecular structure of the title compound is a twist-boat conformation, and the two double bonds have a trend of potential intramolecular reaction under high-energy irradiation.
机译:研究了由没有4-芳基的1,4-二氢吡啶合成顺式二聚体,并获得了单晶(C_(22)H_(30)N_2O_8,M_r = 450.48)。它在单斜晶空间群P2_1 / c中结晶,a = 11.937(2),b = 20.913(4),c = 9.763(2)A,β= 108.46(3)°,V = 2311.9(8)A〜3 ,Z = 4,D_c = 1.294 g / cm〜3,F(000)= 960,μ= 0.099 mm〜(-1),R = 0.0640和wR = 0.1464,对于4077次独特反射,观察到1598次反射(Ⅰ>2σ (Ⅰ))。结果表明,该标题化合物的整体分子结构为扭曲结构,两个双键在高能辐照下具有潜在的分子内反应趋势。

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