Kinzhybalo Vasyl, Janczak Jan
Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław, Poland.
Acta Crystallogr C. 2007 Mar;63(Pt 3):m105-7. doi: 10.1107/S0108270107004921. Epub 2007 Feb 17.
The crystals of the title compound, [Mg(C(32)H(16)N(8))(H(2)O)].2C(3)H(9)N, are built up from MgPc(H(2)O) [Pc is phthalocyaninate(2-)] and n-propylamine molecules that interact via O-H...N hydrogen bonds. The MgPc(H(2)O) molecule is non-planar. The central Mg atom is coordinated by the four equatorial isoindole N atoms of the Pc ring system and by the O atom of an axial water molecule. The Mg atom is displaced by 0.509 (1) A from the N(4) plane towards the water O atom. MgPc(H(2)O).2(n-propylamine) molecules related by the inversion centre are linked by N-H...O hydrogen bonds to form a dimeric aggregate.
标题化合物[Mg(C₃₂H₁₆N₈)(H₂O)].2C₃H₉N的晶体由MgPc(H₂O) [Pc为邻苯二甲酰亚胺(2 -)]和正丙胺分子构成，它们通过O - H...N氢键相互作用。MgPc(H₂O)分子是非平面的。中心Mg原子由Pc环系统的四个赤道面异吲哚N原子以及一个轴向水分子的O原子配位。Mg原子从N(4)平面朝着水分子的O原子位移了0.509(1) Å。由对称中心相关的MgPc(H₂O).2(正丙胺)分子通过N - H...O氢键相连形成二聚体聚集体。
