| 3,3-二甲基-9-(5,5-二甲基-3-羟基-2-环己烯-1-酮-2-基)-1-氧代-2,3,4,9-四氢化氧杂蒽的合成和晶体结构 |
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| 引用本文： | 史达清,路再生,戴桂元.3,3-二甲基-9-(5,5-二甲基-3-羟基-2-环己烯-1-酮-2-基)-1-氧代-2,3,4,9-四氢化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： | 史达清 路再生 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 |
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| 摘 要： | 标题化合物C23H26O4是由水杨醛与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-射线行射法确定，其晶体属于单料晶系，空间群P21/c，a=7．056（7），b=20.263（3），c=13．665（2）A，β＝93．32（1）°，V=1950．7（4）A3，Mr=366．46，Dc=1.248g／cm3，Z=4，μ（MoKa）=0．84cm－1，F（000）=784。晶体结构用直接法解出，经全矩阵最小二乘法对原子参数进行修正，最后的偏离因子R=0．068，Rw=0．075。晶体结构分析结果表明，分子中存在一个共轭的烯醇式结构。
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| 关 键 词： | 氧来蒽 合成 晶体结构 |
Synthesis and Crystal Structure of 3, 3-Dimethyl-9-(5,5-dimethyl-3-hydroxy-2-cyclohexen-1-one-2-yl)-1-oxo-2, 3, 4, 9-tetrahydroxanthene |
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| SHI Da-Qing, LU Zai-Sheng, DAI Gui-Yuan.Synthesis and Crystal Structure of 3, 3-Dimethyl-9-(5,5-dimethyl-3-hydroxy-2-cyclohexen-1-one-2-yl)-1-oxo-2, 3, 4, 9-tetrahydroxanthene[J].Chinese Journal of Structural Chemistry,1998(6). |
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| Authors: | SHI Da-Qing LU Zai-Sheng DAI Gui-Yuan |
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| Abstract: | The title compound (C23H26O4) has been synthesized by reaction of salicylal and 5, 5-dimethyl-1, 3-cyclohexanedione in N, N-dimethyirormamide and its structure was determinedby single crystal X-ray diffraction. The crystal is monoclinic, space group P21/c with a= 7. 056(7), b=20. 263(3), c=13. 665(2) A, P=93. 32(1)°, V=195O. 7(4) A3, Mr=366. 46, Dc= 1. 248 g/cm3, Z=4, μ(MoKa) =0. 84 cm-1, F(000) = 784. The structure was solved by direct methods, and refined by full-matrix least-squares method to a final R = 0. 068 and Rw =0. 075. The crystal structure shows that there is a conjugated enol form in the molecule. |
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| Keywords: | Xanthene synthesis crystal structure |
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