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Solid State Synthesis and Crystal Structure of 3-Methyl-1-phenyl-4-phenylbenzoylmethylene-5-pyrazolone

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摘要 The solid state thermal reaction of benzil with 3-methyl-1-phenyl-5-pyrazolone gave the title compound 1 (C_24H_18N_2O_2) and its isomer 2. The crystal structure of the title compound has been determined by X-ray analysis. The crystal belongs to monoclinic system, space group P2_1/n, with cell parameters a = 7. 479 ( 1 ), b =16. 992(1), c=15. 165(1) A , β= 100. 99(1)°, V= 1891. 9 A ̄3, M_r=366. 42, Z=4, D_c= 1. 286 g/cm ̄3, μ= 6. 236 cm ̄-1, F(000) = 768. In the molecule of 1, benzoyl group and CO group of five-member ring are in cis-positions, the interaction of oxygen atoms leads to the noncoplanarity. The solid state thermal reaction of benzil with 3-methyl-1-phenyl-5-pyrazolone gave the title compound 1 (C_24H_18N_2O_2) and its isomer 2. The crystal structure of the title compound has been determined by X-ray analysis. The crystal belongs to monoclinic system, space group P2_1/n, with cell parameters a = 7. 479 ( 1 ), b =16. 992(1), c=15. 165(1) A , β= 100. 99(1)°, V= 1891. 9 A ̄3, M_r=366. 42, Z=4, D_c= 1. 286 g/cm ̄3, μ= 6. 236 cm ̄-1, F(000) = 768. In the molecule of 1, benzoyl group and CO group of five-member ring are in cis-positions, the interaction of oxygen atoms leads to the noncoplanarity.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1995年第4期277-280,共4页 结构化学(英文)
关键词 solid state reaction BENZIL 3-methyl-1-phenyl-5-pyrazolone crystal structure solid state reaction, benzil, 3-methyl-1-phenyl-5-pyrazolone, crystal structure
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参考文献2

  • 1孟继本,Chem J Chin Univ,1994年,15卷,528页
  • 2孟继本,结构化学,1993年,12卷,85页

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