摘要
The title compound （Z）-N-（3-（（2-（4-chlorophenyl）oxazol-4-yl）methyl）thiazolidin- 2-ylidene）cyanamide 1 （C14H11C1N4OS, Mr = 318.03） has been synthesized and structurally characterized by IR, 1H NMR and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group PI with a = 21.341（4）, b = 5.2523（11）, c = 12.744（3） A, β = 96.74（3）°, V= 1418.6（5）A3, Z = 4, Dc. = 1.493 Mg/m3, F（000） = 656, kffMoKa） = 0.420 mm-1, the final R = 0.0434 and wR = 0.1096 for 3237 observed reflections with 1 〉 2tr（/）. The benzene and oxazole rings are nearly coplanar with the dihedral angle of 14.7（2）°. The dihedral angle between the central oxazole and thiazolidine ring is 66.5（5）°. No classical hydrogen bonds were found in the crystal packing, whereas weak C-H...N interactions reside in the lattice to fulfill a one-dimensional hydrogen-bonding chain running along the crystallographic [001] direction. The preliminary bioassay showed that the title compound had not only insecticidal activity against pea aphids （Aphis craccivora）, but also fungicidal activities and anti tumor activities.
The title compound （Z）-N-（3-（（2-（4-chlorophenyl）oxazol-4-yl）methyl）thiazolidin- 2-ylidene）cyanamide 1 （C14H11C1N4OS, Mr = 318.03） has been synthesized and structurally characterized by IR, 1H NMR and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group PI with a = 21.341（4）, b = 5.2523（11）, c = 12.744（3） A, β = 96.74（3）°, V= 1418.6（5）A3, Z = 4, Dc. = 1.493 Mg/m3, F（000） = 656, kffMoKa） = 0.420 mm-1, the final R = 0.0434 and wR = 0.1096 for 3237 observed reflections with 1 〉 2tr（/）. The benzene and oxazole rings are nearly coplanar with the dihedral angle of 14.7（2）°. The dihedral angle between the central oxazole and thiazolidine ring is 66.5（5）°. No classical hydrogen bonds were found in the crystal packing, whereas weak C-H...N interactions reside in the lattice to fulfill a one-dimensional hydrogen-bonding chain running along the crystallographic [001] direction. The preliminary bioassay showed that the title compound had not only insecticidal activity against pea aphids （Aphis craccivora）, but also fungicidal activities and anti tumor activities.
基金
Supported by the National Scientific and Technology Supporting Program of China (2011BAE06B05)
