Molecular Chirality and Chiral Superlattice in Crystal of Tetrakis[(pyrrol-1-yl)methyl]methane  

作　　者：XUWei LUYin-xiang LIUChun-ming LANBi-jian ZHOUHui WANGJing-mei 

机构地区：[1]DepartmentofMaterialsScience,FudanUniversity,Shanghai200433,P.R.China [2]ResearchCenterforAnalysisandMeasurement,FudanUniversity,Shanghai200433,P.R.China

出　　处：《Chemical Research in Chinese Universities》2004年第6期778-780,共3页高等学校化学研究（英文版）

基　　金：the National Natural Science Foundation of China(No.6 0 1710 0 8) and Shanghai Science and TechnologyCom mittee(No.0 2 14 nm0 0 5 )

摘　　要：The crystal structure of tetrakis[(pyrrol-1-yl)methyl]methane was determined by X-ray diffraction measurement, and the result shows that it belongs to monoclinic crystal system, space group is P2 1/n, with a=0.9284(3) nm, b=1.0950(6) nm, c=1.8749(8) nm; α=γ= 90.00(4)°, β=103.63(3)°, V=1.8523(14) nm 3, Z=4, ρ calcd. =1.192 kg/m 3, μ=0.072 nm -1 , F(000)=712, R 1=0.0854, wR 2=0.1884. It has been found that the molecules exist in two enantiomeric states. Enantioselective self-assemblies such as one-dimensional molecular stacks in a single handedness, homochiral monolayers and a chiral superlattice are specified in this racemic crystal. In addition, a simple technique is advocated to distinguish chiral states from tetrahedral molecules in the solid state. The present R/S nomenclature of the tetracooradinated carbon centers is used solely for its convenience to distinguish the two enantiomeric states, but not used to determine the absolute configurations.The crystal structure of tetrakis[(pyrrol-1-yl)methyl]methane was determined by X-ray diffraction measurement, and the result shows that it belongs to monoclinic crystal system, space group is P2 1/n, with a=0.9284(3) nm, b=1.0950(6) nm, c=1.8749(8) nm; α=γ= 90.00(4)°, β=103.63(3)°, V=1.8523(14) nm 3, Z=4, ρ calcd. =1.192 kg/m 3, μ=0.072 nm -1 , F(000)=712, R 1=0.0854, wR 2=0.1884. It has been found that the molecules exist in two enantiomeric states. Enantioselective self-assemblies such as one-dimensional molecular stacks in a single handedness, homochiral monolayers and a chiral superlattice are specified in this racemic crystal. In addition, a simple technique is advocated to distinguish chiral states from tetrahedral molecules in the solid state. The present R/S nomenclature of the tetracooradinated carbon centers is used solely for its convenience to distinguish the two enantiomeric states, but not used to determine the absolute configurations.

关 键 词：Achiral molecule Racemic crystal Central chirality Enantioselective self-assembly Chiral superlattice 

分 类 号：O623.11[理学—有机化学]