The crystal and molecular structures of [(C 3H 7O) 2PS 2] 2(CCDC No.217201) were determined by means of X-ray crystallography. It crystallized in a triclinic system with space group P1 and lattice parameters a=0.82794(3) nm, b=0.84764(2) nm, c=0.85034(3) nm, α=97.78(3)°, β=110.77(3)°, γ=94.95(3)°, V=0.54701(9) nm3, Z=1. In this molecule, the two diisopropyl dithiophosphate groups, [(C 3H 7O) 2PS 2] 2, which are parallel to each other, are linked by an S—S bond and there exist inversion centers in the molecule. In the structure, the PS bonds in the two dithiophosphate units are trans-oriented to each other.
Sixteen new triazole organic phosphorus compounds were synthesized. Their structures were confirmed with IR, 1H NMR, elemental analysis and MS. The primary biological tests show that the titled compounds have the fungicidal activities, which are influenced by R groups and the substituents attached to the P atom.
The crystal and molecular structures of Schiff base bis(salicylidene)-p-diaminobenzene were determined by X-ray crystallography. It crystallized in a monoclinic system with space group P2(1)/c, lattice parameters a=1.4649(3) nm, b=0.45770(9) nm, c=1.2241(2) nm, α=γ=90.00°, β=112.07(3)°, V=(0.7606(3) nm^3,) and Z=4. The crystal structure of the title compound is composed of discrete monomeric molecule of ((C_6H_4)(NCC_6H_4OH)_2) which is planar. The intermolecular hydrogen bonds make the compound steady.
The crystal structure of 4-salicylideneamino-3-methyl-1,2,4-triazol-5-thione 1 (C10H10N4OS, Mr = 234.28) has been determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P21/n with a = 12.697(3), b = 7.4072(15), c = 12.750(3) , b = 117.68(3), V = 1061.85(4) 3, Z = 4, Dc = 1.465 g/cm3, m = 0.288 mm-1 and F(000) = 488. R = 0.0584 and wR = 0.1642 for 2660 unique reflections with 2130 observed ones (I > 2s(I)). The results confirmed that the configuration of the title compound at the azomethine C=N bond is E and 1 can be assigned as the thione tautomeric form. All atoms of the title compound are essentially coplanar.
