| 3,3,6,6-四甲基-4a-羟基-9-邻甲氧基苯基-1,8-二氧代-2,3,4,4a,5,6,7,8,9,9a-十氢化-1H-氧杂蒽的合成和晶体结构 |
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| 引用本文： | 屠树江,史达清,路再生,王甦惠,戴桂元.3,3,6,6-四甲基-4a-羟基-9-邻甲氧基苯基-1,8-二氧代-2,3,4,4a,5,6,7,8,9,9a-十氢化-1H-氧杂蒽的合成和晶体结构[J].结构化学,1998(6). |
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| 作者姓名： | 屠树江 史达清 路再生 王甦惠 戴桂元 |
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| 作者单位： | 徐州师范大学化学系!徐州，221009，徐州师范大学化学系!徐州，221009，徐州师范大学化学系!徐州，221009，徐州师范大学化学系!徐州，221009，徐州师范大学化学系!徐州，221009 |
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| 摘 要： | 标题化合物C24H30O5是由邻甲氧基苯甲醛与5，5-二甲基-1，3-环己二酮在N，N-二甲基甲酰胺中反应而得。结构通过单晶X-射线衍射法确定，其晶体属于单斜晶系，空间群C2／c，a=33．942（6），b=7273（1），c=22667（4）A，β=128．989（9）°，Mr=398．50，V=4349（1）A3，Dc=1．2179·cm-3，Z=8，μ（MoKa）=840mm－1，F（000）=1712。晶体结构用直接法解出，经用全矩阵最小二乘法对原子参数进行修正，最后的偏离因子为R=0.043，Rw=0．052。在晶体结构中，存在一个分子间氢键。
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| 关 键 词： | 氧杂蒽 合成 晶体结构 |
Synthesis and Crystal Structure of 3, 3, 6, 6-Tetramethyl-4a-hydroxy-9-orthomethoxyphenyl-1, 8-dioxo-2, 3, 4, 4a, 5, 6, 7, 8, 9, 9a-decahydro-1H-xanthene |
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| TU Shu-Jiang, SHI Da-Qing, LU Zai-Sheng, WANG Su-Hui, DAI Gui-Yuan.Synthesis and Crystal Structure of 3, 3, 6, 6-Tetramethyl-4a-hydroxy-9-orthomethoxyphenyl-1, 8-dioxo-2, 3, 4, 4a, 5, 6, 7, 8, 9, 9a-decahydro-1H-xanthene[J].Chinese Journal of Structural Chemistry,1998(6). |
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| Authors: | TU Shu-Jiang SHI Da-Qing LU Zai-Sheng WANG Su-Hui DAI Gui-Yuan |
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| Abstract: | The title compound (C24H30O5) has been synthesized by reaction of o-methoxybenzaldehyde and 5, 5-dimethyl-1, 3-cyclohexanedione in N, N- dimethylformamide and its structure was determined by single crystal X-ray diffraction. The crystal is monoclinic, space group C2/c with a=33. 942 (6), b= 7. 273(1), c= 22. 667(4) A, β= 128. 989(9)°, Mr= 398. 50, V=4349(1 ) A3,Dc = 1. 217 g· cm-3, Z= 8, μ(MoKa) =8. 40 mm-1, F(000) = 1712. The structure was solved by direct methods, and refined by full-matrix least-squares method to a final R=0.043 and Rw=0.052. The crystal structure shows that there is a intermolecular hydrogen bond in the molecule. |
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| Keywords: | Xanthene synthesis crystal structure |
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