Synthesis and Crystal Structure of a Novel Molecular Clip from Diphenylglycoluril  

作　　者：WANG Zhiguo1, LIU Hongxia2 (1. School of Chemical and Materials Engineering 2. School of Environmental Science and Engineering, Huangshi Institute of Technology, Huangshi 435003, CHN) 

出　　处：《Semiconductor Photonics and Technology》2010年第4期173-176,共4页半导体光子学与技术（英文版）

基　　金：Financially supported by Education Department of Hubei Province(B20104405)

摘　　要：The compound 1,6∶3,4-Bis(4,5-dimethyl)tetrahydro-3a,6adiphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione (C40H40Cl0.33N4O10, Mr=748.58) has been synthesized for the first time. Complete assignments were achieved by using 1H NMR, IR, EI-MS, elemental analysis and single-crystal X-ray diffraction technique. The crystal belongs to Orthorhombic, space group C 2/c with a=29.280(4), b=11.861 7(16), c=1.921 2(3) nm, β=91.240(3), V=6.670 7(16)) nm3, Z=6, Dc=1.118 g/cm3, μ(MoKα)=0.092 mm-1, F(000)=3 146, R=0.0670 and wR=0.187 9 for 6551 observed reflections with I>2σ(I). X-ray analysis reveals that dimeric aggregates are formed through C-H…π interactions and and offset π-π stacking. In addition, the compound assembles to a three-dimensional network.ing structure by other hydrogen bond.The compound 1,6∶3,4-Bis(4,5-dimethyl)tetrahydro-3a,6adiphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione (C40H40Cl0.33N4O10, Mr=748.58) has been synthesized for the first time. Complete assignments were achieved by using 1H NMR, IR, EI-MS, elemental analysis and single-crystal X-ray diffraction technique. The crystal belongs to Orthorhombic, space group C 2/c with a=29.280(4), b=11.861 7(16), c=1.921 2(3) nm, β=91.240(3), V=6.670 7(16)) nm3, Z=6, Dc=1.118 g/cm3, μ(MoKα)=0.092 mm-1, F(000)=3 146, R=0.0670 and wR=0.187 9 for 6551 observed reflections with I>2σ(I). X-ray analysis reveals that dimeric aggregates are formed through C-H…π interactions and and offset π-π stacking. In addition, the compound assembles to a three-dimensional network.ing structure by other hydrogen bond.

关 键 词：diphenylglycoluril SYNTHESIS MOLECULAR CLIP 

分 类 号：TN3[电子电信—物理电子学]