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The novel crystal of the title compound 2-(((5-(((5,7-dimethyl-[1,2,4]triazolo-[1, 5-a]-pyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4H-chromen-4-one methanol solvate(C27H25N7O3S2, Mr = 559.66) has been prepared and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monocline system, space group P21/c with a = 11.9879(9), b = 14.0743(10), c = 15.9706(11), β = 98.509(2)°, V = 2664.9(3)3, Z = 4, Dc = 1.395 g/cm3, F(000) = 1168, μ = 0.116 mm-1, MoKa radiation(λ = 0.71073), R = 0.0652, and wR = 0.1425 for 5220 observed reflections with I > 2σ(I). X-ray diffraction analyses reveal that the molecule adopts a C-shape. The planes of the benzopyrone and triazolopyrimidine were nearly parallel to each other, with a dihedral angle of 1.21(3)°. Intramolecular and intermolecular hydrogen bonds together with π-π interations are found to exist in the structure. The results of MTT assay indicate that the title compound displays excellent antiproliferative activity against two human cancer cell lines.
The novel crystal of the title compound 2 - ((5 - ((5,7-dimethyl- [1,2,4] triazolo- [1,5-a] -pyrimidin-2-yl) thio) methyl) -4-phenyl-4H-1,2,4-triazol-3-yl) thio) methyl) -4H- chromen-4-one methanol solvate (C27H25N7O3S2, Mr = 559.66) has been prepared and its structure was determined by single The crystal belongs to the monocline system, space group P21 / c with a = 11.9879 (9), b = 14.0743 (10), c = 15.9706 (11) , β = 98.509 (2) ° , V = 2664.9 (3) 3, Z = 4, Dc = 1.395 g / cm3, F (000) = 1168, μ = 0.116 mm- 1, MoKa radiation (λ = 0.71073), R = X-ray diffraction analysis of the molecule placed a C-shape. The planes of the benzopyrone and triazolopyrimidine were nearly parallel to each other, with a dihedral angle of 1.21 (3 ) °. Intramolecular and intermolecular hydrogen bonds together with π-π interations are found to exist in the structure. The results of MTT assay that that title title compound displays excellent antiproliferative activity against two human cancer cell lines.