The crystal structure of the new title compound 3-（4-chlorophenyl）-8-cyano-2-（di-iso-propylamino）-5-methyl-7-（methylthio）-pyrido[4,3-d]pyrimidine-4（3H）-one（C22H24ClN5OS,Mr = 441.97）has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic,space group Pna21 with a = 7.6721（5）,b = 18.9370（11）,c = 15.6260（9）A,V = 2270.2（2）A^3,Z = 4,Dc = 1.293 g/cm^3,F（000）= 928,μ = 0.283 mm^-1,MoKa radiation（λ = 0.71073 A）,R = 0.0494 and wR = 0.1062 for 3278 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that all ring atoms in the py-ridopyrimidinone moiety are almost coplanar. Intramolecular C（20）-H（20）···N（4）,C（19）-H（19A）···N（3）,C（18）-H（18C）···N（3）and C（16）-H（16B）···O（5）hydrogen bonds together with weak C···π interactions are found in the structure.
A new complex [Cd（H2biim）2（H2O）2]·（ino）2·4H2O （H2biim = 2,2＇-biimidazole, ino = isonicotinate-N-oxide） has been prepared and characterized by single-crystal X-ray diffraction analysis, IR and fluorescence spectra analysis. The crystal is of triclinic system, space group P1 with a = 7.5380（6）, b = 8.0402（7）, c = 13.5094（11） , α = 104.269（1）, β = 93.604（1）, γ = 98.349（1）°, V = 780.93（11） 3, Mr = 765.00, Dc = 1.627 g/cm3, F（000） = 390, μ = 0.776 mm-1 and Z = 1. The final R = 0.0322 and wR = 0.0825 for 7038 observed reflections with I 2σ（I） and R = 0.0341 and wR = 0.0832 for all data. The title complex exhibits an infinite chain-like structure through bridging isonicotinate-N-oxide. Strong interchain hydrogen bonds between isonicotinate-N-oxide and H2biim result in the robust 3-D supramolecular architecture. Moreover, the complex shows strong photoluminescence with emission maximum at λ = 401 nm upon λex = 330 nm.
A new crystal of N,N＇-bis（4-nitrophenylcarbamothioyl）isophthalamide DMF solva-te has been prepared at room temperature and characterized by elemental analysis and IR,MS,1H NMR spectra and X-ray single-crystal determination.The complex crystallizes in monoclinic,space group P21/c with a = 11.2093（12）,b = 22.081（2）,c = 13.9640（15） ,β= 112.128（2）°,V = 3201.8（6） 3,C28H30N8O8S2,Mr = 670.72,Dc = 1.391 Mg/m3,Z = 4,μ= 0.228 mm-1,F（000） = 1400,the final R = 0.0483 and wR = 0.1411（I 2σ（I））.The molecular packing in the crystal is the result of N-H…O hydrogen bonding.
