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The complex Fe(aapo)2Cl3 with chemical formula C14H16Cl3FeN4O4 was obtained by the reaction of FeCl36H2O with apoHCl (apo = 2璦mino pyridine N璷xide) in acetonitrile. The result shows that CH3CN has been hydrolysised with the water from FeCl36H2O dissolving, and then the hydrolysised product condenses with apo to give aapo. A single-crystal X璻ay study of Fe(aapo)2Cl3 shows it belongs to the monoclinic system, space group C2/c with a = 15.873(3), b = 10.322(2), c = 11.987(2) ? b = 106.35(1), V = 1884.5(6) 3, Z = 4, Mr = 466.51, Dc = 1.644 g/cm3, m(MoKa) = 1.253 mm-1, F(000) = 948, R = 0.0377 and wR = 0.0749 for 1262 observed reflections with I > 2(I). Fe (Ⅲ) is coordinated by a trigonal bipyramidal geometry with three chlorine atoms lying on the equatorial plane and two oxygen atoms connected with the nitrogen atoms of pyridine rings occupying the axial positions, while the iron and Cl(1) atoms lie on the crystallographic 2-fold axis. The dihedral angle of two pyridine rings is 71.74(9). There exist N(2)H(2)…O(1)?hydrogen bonds in the crystal structure.
The result shows that the CH3CN has been hydrolyzed with the water from FeCl36H2O dissolving, and the complex Fe (aapo) 2Cl3 with the chemical formula C14H16Cl3FeN4O4 has been obtained by the reaction of FeCl36H2O with apoHCl (apo = 2 瑷 mino pyridine N 璷 xide) A single-crystal X 璻 a study of Fe (aapo) 2Cl3 shows it belongs to the monoclinic system, space group C2 / c with a = 15.873 (3), b = 10.322 ( 2 = c = 11.987 2 b = 106.35 1 V = 1884.5 6 3 Z = 4 Mr = 466.51 Dc = 1.644 g / cm3 MoKa = 1.253 mm-1, F (000) = 948, R = 0.0377 and wR = 0.0749 for 1262 observed reflections with I> 2 (I). Fe (III) is coordinated by a trigonal bipyramidal geometry with three chlorine atoms lying on the equatorial plane and two oxygen atoms connected with the nitrogen atoms of pyridine rings occupying the axial positions while the iron and Cl (1) atoms lie on the crystallographic 2-fold axis. The dihedral angle of two pyridine rings is 71 There exist N (2) H (2) ... O (1)? Hydrogen bonds in the crystal structure.