A new compound 1,1?-bis(3-pyridyl)-propylene(3,7-diformyl-N-ethylpheno- thiazinyl)ketone (C30H23N3O2S, Mr = 489.4) has been synthesized, and its crystal structure was determined by single-crystal X-ray diffraction method. The crystal is of orthorhombic, space group Ima2 with a = 27.491(5), b = 11.942(2), c = 7.389(2) ?, V = 2425.8(7) ?3, Z = 8, Dc = 1.340 g/cm3, μ = 0.167 mm-1, F(000) = 1024, the final R = 0.0363 and wR = 0.0869 for 2054 unique reflections with Rint = 0.0254. The structural determination shows that the molecule assumes a butterfly configuration with nearly planar wings. In addition, the electrochemical study indicates that there is a high electronic delocalization in the molecule.
The nickel(Ⅱ) complex with the new ligand of S-benzyl-b-N-[10-ethyl- phenothiazine-3-methylene]dithiocarbazate(HL) crystallizes in the triclinic system, space group P?with a = 7.516(1), b = 11.322(1), c = 13.366(1) , a = 84.818(1), b = 81.688(1), g = 76.037(1), V = 1090.26(3) 3, Z = 1, Dc = 1.413 g/cm3, F(000) = 482, m(MoKa) = 0.774 mm-1 (l = 0.7103 ?, R = 0.0573 and wR = 0.1375 for 3357 observed reflections with I ≥ 2s(I). The HL has lost a proton from its tautomeric thiol form and acts as a single negatively charged bidentate ligand coordinating to the nickel ion via the mercapto sulfur and b-nitrogen atoms. The geometry around Ni(Ⅱ) is almost square-planar with two equivalent NiN and NiS bonds. The nonlinear absorption of HL and NiL2 solutions (in DMF) was measured by open-aperture Z-scan technique at the wavelength of 532 nm.
Co(NO3)2, N carbazolyacetic acid and 4,4′ bipyridyl can give rise to a novel coordination polymer [Co2(Cabo)2(NO3)2(4,4′ bipy)2]n using a fritted U tube. Single crystal X ray diffraction displays in the complex, each Co? is six coordinated by two N atoms from different 4,4′ bipyridyl ligands, two O atoms of the bridge from two N carbazolyacetic acid and two O atoms of one nitrate anion to form a distorted octahedral. Two O atoms of the carboxyl group act as bridge to link two Co? atoms. The resulting structure is a ladder polymer. CCDC: 211713.
