| C-H…O Hydrogen Bonds and π…π Interaction and the Crystal and Molecular Structures of 3-Nitro-benzylideneaniline-methyl-2’ |
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| 引用本文： | 胡志辉,黄忠林,张德纯.C-H…O Hydrogen Bonds and π…π Interaction and the Crystal and Molecular Structures of 3-Nitro-benzylideneaniline-methyl-2’[J].结构化学,2004,23(4):376-380. |
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| 作者姓名： | 胡志辉 黄忠林 张德纯 |
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| 基金项目： | 江苏省重点学科建设项目 |
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| 摘 要： |
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| 关 键 词： | C-H…O 氢键 π…π键 晶体结构 分子结构 3-硝基-苄基苯胺-甲基-2’西佛碱 C14H12N2O2 |
C-H…O Hydrogen Bonds and π…π Interaction and the Crystal and Molecular Structures of 3-Nitro-benzylideneaniline-methyl-2’ |
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| Abstract: | The title compound (C14H12N2O2,Mr=240.26) crystallizes in the monoclinic system,space group P21/a with a=7.394(1),b=21.334(3),c=7.423(1)A,β=89.82(1)A°,V=1170.8(3)A3,Z=4,Dc=1.363 g/cm3,μ(MoKα)=0.93 cm-1 and F(000)=504.00.The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I>2σ(I)),respectively.The dihedral angle between the two phenyl rings is 52.9°and that between the NO2 group and its attached ring is 3.0°.In the crystal,molecules are stacked along 100] throughπ…πinteractions.The C-H…O hydrogen bond (3.403 A,120.4°) laterally connects the stacks along 010] to form networks (001) which are further anti-parallelly connected by C-H…O(3.382 A,142.9°) andπ…πinteractions extending along 001].Also presented here is a brief study on the C-H…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types,namely,R12(5)R21(4),R22(8),R12(6),andR22(7),with the first three occurring more often. |
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| Keywords: | 3-nitro-benzylideneaniline-methyl-2' Schiff base C-H…O hydrogen bonds π…πinteraction molecular structure crystal structure |
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