Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (6): 521-527.     Next Articles

Original Articles

α-氰基-α-(2, 4-二硝基苯基)苯乙酸乙酯的分子和晶体结构及^1H NMR谱特征

贾志胜;齐陈泽;杨第伦   

  1. 兰州大学化学系;兰州大学应用有机化学化学国家重点实验室
  • 出版日期:1996-06-15 发布日期:1996-06-15

Crystal and molecular structure of ethyl α-cyano-α-(2, 4- dinitrophenyl) phenylacetate and its special spectroscopy information

JIA ZHISHENG;QI CHENZE;YANG DILUN   

  • Online:1996-06-15 Published:1996-06-15

The crystal and molecular structure of ethyl α-cyano-α-(2, 4- dinitrophenyl) phenylacetate was determined. The data of the crystal and molecular structure were collected at space group P21/c, a=0.8903(1), b=1.2303(1), c=1.5119(3)nm, β=94.23(1)°, V=1.6515nm^3, μ(MoKα)=8.951cm^-^1, Dc=1.429(g/cm^3), Z=4, final R=0.075, Rw=0.069 for 3283 observed unique reflections. By the comparison with ethyl α- cyano-α-(2-nitrophenyl) acetate, it was studied the influence of steric and electronic effects in molecule to the bond parameters and special spectroscopy information. So was that to the bond parameters and ^1H NMR spectroscopy of ethoxy group in molecule.

Key words: BENZENEACETIC ACID P, CRYSTAL STRUCTURE, MOLECULAR STRUCTURE, ETHYL ESTER, NITROBENZENE P, PROTON MAGNETIC RESONANCE SPECTROMETRY, CYANO GROUP, STEREOELECTRONIC EFFECT

CLC Number: