Synthesis,Crystal Structure and Biological Activities of O-[(Z)-2-Methylbenzyl] 1-Phenyl-2-(1H-1,2,4

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The crystal structure of the title compound (C18H18N4O, Mr = 306.36) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a = 4.783(0), b = 13.577(1), c = 13.830(1) , α = 63.581(2), β = 88.326(2), γ = 86.161(2)°, V = 802.5(1) 3, Z = 2, Dc = 1.268 g/cm3, F(000) = 324, μ(MoKα) = 0.082 mm-1, the final R = 0.0497 and wR = 0.1199 for 3094 observed reflections (I > 2σ(I)). The dihedral angles between the phenyl (C(1)-C(4)-C(6)) and triazole, the phenyl (C(13)-C(15)-C(18)) and triazole, and the two phenyl rings are 7.9(1), 69.9(1) and 67.8(1)o, respectively. Strong C-H…π interaction joins molecules into a chain along the c axis and contributes to the stability of the structure. Preliminary bioassay results show that the title compound possesses excellent and selective fungicidal activity against Colletotrichum gossypii but displays moderate to weak insecticidal activity against aphides. The crystal structure of the title compound (C18H18N4O, Mr = 306.36) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic space group P1 with a = 4.783 (0), b = α = 63.581 (2), β = 88.326 (2), γ = 86.161 (2) °, V = 802.5 (1) 3, Z = 2 and Dc = 1.268 g / cm3. The final R = 0.0497 and wR = 0.1199 for 3094 observed reflections (I> 2σ (I)). The dihedral angles between the phenyl (C (1) The phenyl (C (13) -C (15) -C (18)) and triazole, and the two phenyl rings are 7.9 (1), 69.9 (1) and 67.8 (1) o, respectively. Strong CH ... π interaction joins molecules into a chain along the c axis and contributes to the stability of the structure. Preliminary bioassay results show that the title compound possesses excellent and selective fungicidal activity against Colletotrichum gossypii but displays moderate to weak insecticidal activity against aphides.
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