Structure and Quantum Chemistry Study on Hexaacetyl D-Mannose Hydrazine  

作　　者：CAO Rui LIU Xiao-Hong CHENG Chang-Mei WANG Ru-Ji ZHAO Yu-Fen WANG Lai-Xi 

机构地区：[1]Key Laboratory of Bioorganic Phosphorus Chemistry ＆ Chemical Biology （Ministry of Education）, Department of Chemistry, Tsinghua University, Beijing 100084, China [2]Institute of Human Virology University of Maryland Biotechnology Institute University of Maryland, USA

出　　处：《Chinese Journal of Structural Chemistry》2007年第8期911-916,共6页结构化学（英文）

基　　金：The project was supported by the National Natural Science Foundation of China (No. 20272031)

摘　　要：Hexaacetyl D-mannose hydrazine is one type of important intermediates in saccharide chemistry. In this paper, its single crystal was obtained and furthermore, X-ray diffraction and quantum chemistry calculation were performed. It belongs to orthorhombic system, space group P212121, with a=16.267（3）, b=19.263（3）, c=7.1948（12）A, Mr=446.41, Dc=1.315 g/cm^3, V=2254.5（6）A^3 and Z=4. Meanwhile, the experimental results also provide information for designing a kind of molecular switch based on the mannose nitrogenous derivatives.Hexaacetyl D-mannose hydrazine is one type of important intermediates in saccharide chemistry. In this paper, its single crystal was obtained and furthermore, X-ray diffraction and quantum chemistry calculation were performed. It belongs to orthorhombic system, space group P212121, with a=16.267（3）, b=19.263（3）, c=7.1948（12）A, Mr=446.41, Dc=1.315 g/cm^3, V=2254.5（6）A^3 and Z=4. Meanwhile, the experimental results also provide information for designing a kind of molecular switch based on the mannose nitrogenous derivatives.

关 键 词：hexaaeetyl D-mannose hydrazine crystal structure calculation of quantum chemistry molecular switch 

分 类 号：O623.7[理学—有机化学]