A novel hydrochloride quaternary ammonium salt （E）-4-（benzyloxy）-2-（cinnamo- yloxy）-N,N,N-trimethyl-4-oxobutan-l-aminium chloride （Cz3HzgNO4Cl2, Mr = 454.37） has been synthesized via the sequence of acetylatio...A novel hydrochloride quaternary ammonium salt （E）-4-（benzyloxy）-2-（cinnamo- yloxy）-N,N,N-trimethyl-4-oxobutan-l-aminium chloride （Cz3HzgNO4Cl2, Mr = 454.37） has been synthesized via the sequence of acetylation and esterification by using L-carnitine （L-4-N-trimethy- lammonium-3-hydroxybutyric acid, LC） and cinnamic acid as the starting materials, and its crystal structure was determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P212121 with a = 10.1670（4）, b = 10.4488（4）, c = 22.9795（11）A, V = 2441.18（18）A3, Z = 4, Dc = 1.236 g/cm3,μ（MoKa） = 0.293 mm-1, F（000） = 960, Flack factor = -0.01（11）, the final R = 0.0489 and wR = 0.1550 for 3350 observed reflections （I 〉 2σ（/）） and R = 0.0953 for all 5648 unique reflections. The crystal structure involves a conjugated system which shows a reverse olefin structure.展开更多
基金Supported by the NNSFC (No. 36072541)partly supported by the Youth Award of Shandong Province (No. 2005BS11005)+1 种基金the Doctoral Foundation of Ministry of Education of China (No. 20060422029)the Natural Science Foundation of Shandong Province (No. Y2004C02)
文摘A novel hydrochloride quaternary ammonium salt （E）-4-（benzyloxy）-2-（cinnamo- yloxy）-N,N,N-trimethyl-4-oxobutan-l-aminium chloride （Cz3HzgNO4Cl2, Mr = 454.37） has been synthesized via the sequence of acetylation and esterification by using L-carnitine （L-4-N-trimethy- lammonium-3-hydroxybutyric acid, LC） and cinnamic acid as the starting materials, and its crystal structure was determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P212121 with a = 10.1670（4）, b = 10.4488（4）, c = 22.9795（11）A, V = 2441.18（18）A3, Z = 4, Dc = 1.236 g/cm3,μ（MoKa） = 0.293 mm-1, F（000） = 960, Flack factor = -0.01（11）, the final R = 0.0489 and wR = 0.1550 for 3350 observed reflections （I 〉 2σ（/）） and R = 0.0953 for all 5648 unique reflections. The crystal structure involves a conjugated system which shows a reverse olefin structure.
