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二苯碳酰二肼乙腈溶剂化物合成及晶体结构

The Syntheses and Crystal Structure Study on Diphenylcarbazide Acetonitrile Solvate, (PhNHNH)_2C=O·CH_3CN
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摘要 该文合成了标题化合物 (PhNHNH) 2 CO·CH3 CN ,得到其棕色四棱柱状晶体 ,结构通过单晶X射线衍射法确定。晶体属单斜晶系 ,空间群为P2 1/n ,晶胞参数a =0 .5 781(8)nm ,b =1.5 32 0 (1)nm ,c =1.746 9(1)nm ,β =97.476 0°,V=1.5 34 2 (1)nm3 ,Z=4,重要的非氢原子基团C6—N1—N2—C7,和C7—N3—N4—C8各自的扭转角分别为 6 3.8(3)°和 93.3(2 )°。 The title compound, (PhNHNH) 2CO·CH 3CN has been prepared and characterized by elemental analysis, IR and UV spectra studies. The single crystal X-ray structure determination of the title compound is carried out. The crystal belongs to the monoclinic system, space group P2 1/n, with lattice parameters a=0.578 1(8) nm,b=1.532 0(1) nm, c=  1.746 9(1) nm,β=97.476 0°,V=1.534 2(1) nm 3 and Z=4. The torsion angles of the important group [C6-N1-N2-C7 and C7-N3-N4-C8] are 68.3(3)°and 93.3(3)°, respectively.
出处 《南京理工大学学报》 EI CAS CSCD 北大核心 2001年第6期658-661,共4页 Journal of Nanjing University of Science and Technology
关键词 晶体结构 氢键网络 二苯碳酰二肼溶剂化物 合成 单斜晶系 扭转角 crystal structure,monoclinic,hydrogen bonds network diphenylcarbazide acetonitrile solvate
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