| Synthesis and Crystal Structure of 3,6-Dimethyl- 9-（4-b rom o p h enyl）- 1,8-oxo-2,7,10-trioxanth ene |
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| 引用本文： | 刘波,李卓宁,张小燕,林菊香,高原.Synthesis and Crystal Structure of 3,6-Dimethyl- 9-（4-b rom o p h enyl）- 1,8-oxo-2,7,10-trioxanth ene[J].结构化学,2007,26(11):1277-1280. |
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| 作者姓名： | 刘波 李卓宁 张小燕 林菊香 高原 |
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| 作者单位： | College of Chemistry and Chemical Engineering Shenzhen University，College of Chemistry and Chemical Engineering，Shenzhen University，College of Chemistry and Chemical Engineering，Shenzhen University，College of Chemistry and Chemical Engineering，Shenzhen University，College of Chemistry and Chemical Engineering，Shenzhen University，Shenzhen 518060，China，Shenzhen 518060，China，Shenzhen 518060，China，Shenzhen 518060，China，Shenzhen 518060，China |
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| 基金项目： | the Science and Technology Foundation of Guangdong Province (No. 031792, 06028565) |
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| 摘 要： | The crystal structure of the title compound (C19H13BrO5) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/c,with a=10.508(4),b=11.354(4),c=14.522(5),β=106.255(4)°,V=1663.4(10)3,Mr=401.20,Z=4,Dc=1.602 g/cm3,λ=0.71073,F(000)=808,μ= 2.498 mm-1,R=0.0337 and wR=0.0837 for 2200 observed reflections (I>2σ(I)). X-ray analysis reveals that the dihedral angles between planes 1 and 2,1 and 3,1 and 4,2 and 3,2 and 4,and 3 and 4 are 78.6,82.5,87.4,5.6,9.5 and 4.9°,respectively. There exists a conjugated system in the molecular structure.
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| 关 键 词： | 晶体结构 芳族醛 吡喃酮 三氧化物 |
| 收稿时间： | 2007-01-19 |
| 修稿时间： | 2007-03-14 |
Synthesis and Crystal Structure of 3,6-Dimethyl-9-(4-bromophenyl)-1,8-oxo-2,7,10-trioxanthene |
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| LIU Bo,LI Zhuo-Ning,ZHANG Xiao-Yan,LIN Ju-Xiang,GAO Yuan.Synthesis and Crystal Structure of 3,6-Dimethyl-9-(4-bromophenyl)-1,8-oxo-2,7,10-trioxanthene[J].Chinese Journal of Structural Chemistry,2007,26(11):1277-1280. |
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| Authors: | LIU Bo LI Zhuo-Ning ZHANG Xiao-Yan LIN Ju-Xiang GAO Yuan |
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| Abstract: | The crystal structure of the title compound (C19H13BrO5) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c, with a = 10.508(4), b = 11.354(4), c = 14.522(5)(A), β = 106.255(4)°, V = 1663.4(10) (A)3, Mr = 401.20, Z = 4, Dc = 1.602 g/cm3, λ = 0.71073 (A), F(000) = 808, μ= 2.498 mm-1, R = 0.0337 and wR = 0.0837 for 2200 observed reflections (I＞2σ(I)). X-ray analysis reveals that the dihedral angles between planes 1 and 2, 1 and 3, 1 and 4, 2 and 3, 2 and 4, and 3 and 4 are 78.6, 82.5, 87.4, 5.6, 9.5 and 4.9°, respectively. There exists a conjugated system in the molecular structure. |
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| Keywords: | aromatic aldehydes pyranone trioxanthene crystal structure Crystal Structure system molecular structure analysis angles space group crystal structure diffraction compound |
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