Synthesis and Crystal Structure of One New Adduct of Isonicotinamide and 3,5-Dinitrosalicylic Acid

【摘要】 One new organic adduct,isonicotinamide·3,5-dinitrosalicylic acid with isonico-tin-amide(ina) and 3,5-dinitrosalicylic acid(3,5-dnsa) in 1:1 molar ratio,has been synthesized.Its struc-ture(C13H10N4O8,Mr = 350.25) was characterized by elemental analysis,IR and single-crystal X-ray diffraction analysis.The crystal belongs to the triclinic system,space group P1,with a = 8.812(4),b = 9.487(5),c = 9.604(6) ,α = 116.54(2),β = 97.29(5),γ = 98.35(4)°,V = 693.8(7) 3,Z = 2,Dc = 1.677 g/cm3,λ(MoKα) = 0.71073 ,μ = 0.142 mm-1,F(000) = 360,the final R = 0.0539 and wR = 0.1402 for 2417 unique reflections(Rint = 0.0288) with 1819 observed ones(Ⅰ > 2σ(Ⅰ)).Proton transfer reaction occurs between 3,5-dnsa and ina molecules,and the hydrogen bonds(N-H…O and C-H…O) with other interactions(π…π stacking and weak interactions of O…O and C…O) cooperatively construct a three-dimensional(3D) supramolecular structure.更多还原

【Abstract】 One new organic adduct,isonicotinamide·3,5-dinitrosalicylic acid with isonico-tin-amide(ina) and 3,5-dinitrosalicylic acid(3,5-dnsa) in 1:1 molar ratio,has been synthesized.Its struc-ture(C13H10N4O8,Mr = 350.25) was characterized by elemental analysis,IR and single-crystal X-ray diffraction analysis.The crystal belongs to the triclinic system,space group P1,with a = 8.812(4),b = 9.487(5),c = 9.604(6) ,α = 116.54(2),β = 97.29(5),γ = 98.35(4)°,V = 693.8(7) 3,Z = 2,Dc = 1.677 g/cm3,λ(MoKα) = 0.71073 ,μ = 0.142 mm-1,F(000) = 360,the final R = 0.0539 and wR = 0.1402 for 2417 unique reflections(Rint = 0.0288) with 1819 observed ones(Ⅰ > 2σ(Ⅰ)).Proton transfer reaction occurs between 3,5-dnsa and ina molecules,and the hydrogen bonds(N-H…O and C-H…O) with other interactions(π…π stacking and weak interactions of O…O and C…O) cooperatively construct a three-dimensional(3D) supramolecular structure.更多还原