Compounds 1 (C17H22N2,Mr =254.37) and 2 (C13H16N2,Mr=200.28) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction.Crystal 1 belongs to triclinic,space group P(1) with a =6.524(2),b =8.987(3),c =12.746(5) A,α =95.220(7),β =90.055(6),γ =104.431(6)°,V =720.5(4) A^3,Z =2,Dc =1.173 g/cm^3,μ(MoKα) =0.069 mm1,F(000) =276,R =0.0578 and wR =0.1221 for 1487 observed reflections Ⅰ 〉 2o(Ⅰ).Crystal 2 is of tetragonal system,space group Ⅰ41/a with a =20.763(10),b =20.763(10),c =11.427(6) A,V=4926(4) A3,Z =16,Dc =1.080 g/cm^3,μ(MoKα) =0.065 mm-1,F(000) =1728,R =0.0581 and wR =0.1288 for 1408 observed reflections with Ⅰ 〉 2σ(Ⅰ).Although the two compounds are similar with the same pyrazole and benzene ring units,X-ray analysis reveals that their structures are completely different maybe caused by steric effects.
The new title compound 8-((4-((2,3-diaminopyridin-4-yl)-oxy)-3-fluorophenyl)-amino)-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1(2H)-one(C26H20F2N6O2, Mr = 486.48) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 15.365(3), b = 13.144(2), c = 11.863(2), β= 108.882(3)°, Z = 4, V = 2267.0(7)3, Dc = 1.425 g/cm3, F(000) = 1008, μ = 0.105 mm-1, MoKa radiation(λ = 0.71073), R = 0.0480 and wR = 0.1294 for 3197 observed reflections with I 〉 2σ(I). X-ray diffraction analysis reveals that the region C(substituents of 8-amino group and 3-methyl group on the 2,7-naphthyridin-1(2H)-one ring) of compound 6 are effectively planar. Intramolecular and intermolecular hydrogen bonds together with π···π interations are found in the structure. In addition, compound 6 shows potent c-Met and c-Kit kinase inhibition activities.
A new compound [C19H19N3O3F2Cl·C4H3O4·H2O](I),(7-((7S)-7-aminospiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid fumaric acid monohydrate), was synthesized and structurally characterized by single-crystal X-ray diffraction, ^1H NMR, 14 C spectra and mass spectra. I crystallizes in monoclinic, space group P21/c with a = 8.495(2), b = 12.545(3), c = 11.832(3) A, β = 103.37(1)°, V = 1226.8(5) A^3, Z = 2, Mr = 543.90, Dc = 1.472 g/cm^3, F(000) = 564, μ = 0.225 mm^-1, the final R = 0.0307 and wR = 0.0892 for 6886 observed reflections with I 〉 2σ(I). X-ray diffraction analysis reveals that the quinolinone ring is almost coplanar, and the pyrrole ring adopts an envelope form. Packing of crystal I is constructed and stabilized by the N–H…O, O–H…O and N–H…Cl hydrogen bonds together with C–H…π interations.
Compounds 1 (C15H17C1F3N303, Mr = 379) and 2 (C14H14C1F3N4OS, Mr = 378) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic system, space group P1 with a = 6.0223(19), b = 9.324(3), c = 15.936(5) A, a = 80.687(5), β= 87.289(5), ), = 86.097(5)°, V= 880.4(5) A3, Z = 2, Dc = 1.433 g/cm3,μ(MoKa) = 0.266 mm^-1, F(000) = 392, R = 0.0861 and wR = 0.1999 for 2022 observed reflections with I 〉 2o(/). Crystal 2 belongs to the triclinic system, space group PI with a = 7.7029(15), b = 8.3371(16), c = 14.410(3) A, a = 100.672(3), β= 103.168(3), ? = 98.726(3)°, V = 876.1(3) A3, Z = 2, Dc= 1.451 g/cm^3,μ(MoKa) = 0.379 mm^-1, F(000) = 388, R = 0.0672 and wR = 0.2105 for 2725 observed reflections with I 〉 2σ(I). Although the two compounds are similar with the same pyrazole and pyrethroid units, X-ray analysis reveals that their structures are completely different.