| Synthesis and Crystal Structure of 4-（2-Bromophenyl）-3,4,7,8-tetrahydro- 7,7-dimethyl-1-p-tolylquinoline-2,5（1H,6H）-dione |
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| 引用本文： | 王香善,李庆,吴健蓉,姚昌盛.Synthesis and Crystal Structure of 4-（2-Bromophenyl）-3,4,7,8-tetrahydro- 7,7-dimethyl-1-p-tolylquinoline-2,5（1H,6H）-dione[J].结构化学,2009,28(7):813-818. |
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| 作者姓名： | 王香善 李庆 吴健蓉 姚昌盛 |
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| 作者单位： | School;Chemistry;Chemical;Engineering;Xuzhou;Normal;University; |
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| 基金项目： | supported by the National Natural Science Foundation of China (20802061);;Natural Science Foundation of the Education Committee of Jiangsu Province (08KJD150019);;Natural Science Foundation (06AXL010) of Xuzhou Normal University |
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| 摘 要： | The title compound 4-（2-bromophenyl）-3,4,7,8-tetrahydro-7,7-dimethyl-1-p-tolylquinoline-2,5（1H,6H）-dione 1 （C24H24BrNO2, Mr = 438.35） was synthesized and characterized by IR, 1H NMR and elemental analysis. The crystal belongs to monoclinic, space group C2/c with a = 27.565（14）, b = 10.079（5）, c = 15.917（8） A,β = 111.059（9）°, Z = 8, V = 4127（4）A3, Dc = 1.411 g·cm^-3,μ（MoKa） = 2.011 mm^-1, F（000） = 1808, the final R = 0.0417 and wR = 0.1032 for 2393 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the pyridine ring adopts a distorted boat conformation, while another six-membered ring takes a half-chair conformation. In addition, there are non-classical hydrogen bonds of C-H…O and C-H…Br in the structure. The short distance （3.481A） between the adjacent 2-bromophenyl rings indicates the existence of π-π interaction.
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| 关 键 词： | 晶体结构 溴苯基 二甲基 小时 四氢 二酮 合成 标题化合物 |
Synthesis and Crystal Structure of 4-(2-Bromophenyl)-3,4,7,8-tetrahydro-7,7-dimethyl-1-p-tolylquinoline-2,5(1H,6H)-dione |
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| WANG Xiang-Shan,LI Qing,WU Jian-Rong,YAO Chang-Sheng.Synthesis and Crystal Structure of 4-(2-Bromophenyl)-3,4,7,8-tetrahydro-7,7-dimethyl-1-p-tolylquinoline-2,5(1H,6H)-dione[J].Chinese Journal of Structural Chemistry,2009,28(7):813-818. |
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| Authors: | WANG Xiang-Shan LI Qing WU Jian-Rong YAO Chang-Sheng |
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| Institution: | School of Chemistry and Chemical Engineering,Xuzhou Normal University,Xuzhou 221116,China |
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| Abstract: | The title compound 4-(2-bromophenyl)-3,4,7,8-tetrahydro-7,7-dimethyl-1-p-tolyl-quinoline-2,5(1H,6H)-dione 1 (C24H24BrNO2,Mr=438.35) was synthesized and characterized by IR,1H NMR and elemental analysis.The crystal belongs to monoclinic,space group C21c with a=27.565(14),b=10.079(5),c=15.917(8) (A),β=111.059(9)°,Z=8,V=4127(4)(A)3,Dc=1.411g·cm-3,μ(MoKα)=2.011 mm-1,F(000)=1808,the final R=0.0417 and wR=0.1032 for 2393 observed reflections (I > 2σ(I)).X-ray analysis reveals that the pyridine ring adopts a distorted boat conformation,while another six-membered ring takes a half-chair conformation.In addition,there are non-classical hydrogen bonds of C-H…O and C-H…Br in the structure.The short distance (3.481 (A))between the adjacent 2-bromophenyl rings indicates the existence of π-π interaction. |
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| Keywords: | crystal structure quinoline NMR hydrogen bond |
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