In the mol-ecule of the title compound, C(25)H(16)N(4), the pyridine rings are oriented at a dihedral angle of 0.92 (3)°, while the dihedral angle between the benzene ring and the adjacent pyridine ring is 56.51 (3)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(16) ring motifs. π-π contacts between the pyridine...

2-Sulfanyl-6-(2-thienyl)pyridine-3-carbonitrile, 1-Amino-6-(5-bromo-benzofuran-2-yl)-2-oxo-1,2-dihydro-pyridine-3-carbonitrile, thieno[2,3-b]pyridins, pyrimidino[4',5':4,5] thieno[2,3-b]pyridine, quinazoline and carbamate derivatives were synthesized from sodium 3-(5-bromobenzofuran-2-yl)-3-oxoprop-1-en-1-olate with. The newly synthesized compounds were elucidated by elemental analysis, spectra...

We study simulated annealing techniques for crystal structure determination from diffraction data. We demonstrate that for this problem the efficiency of simulated annealing can be systematically improved by an iterative simulation protocol. Our approach is tested for the example of 9-(methylamino)-1 H-phenalen-1-one-1, 4-dioxan-2-yl hydroperoxide solvate (C18H19NO5).


 ABSTRACT. A novel series of mononuclear complexes the type, [M(L)(H2O)2] [M = Co(II) (1), Ni(II) (2), Zn(II) (3), Cd(II) (4), L dipicolinate), has been investigated using various techniques, including elemental analyses, FT-IR, 1H- and 13C NMR spectroscopy, powder XRD thermogravimetric analysis. The results indicate that coordination dipicolinic acid to metal ions involves two carboxylat...