Janczak Jan, Idemori Ynara Marina
Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P O Box 1410, 50-950 Wrocław, Poland.
Acta Crystallogr C. 2002 Nov;58(Pt 11):m549-50. doi: 10.1107/s0108270102018474. Epub 2002 Oct 31.
The title compound, [Mg(C(32)H(16)N(8))(H(2)O)], crystallizes with two MgPc(H(2)O) molecules (Pc is phthalocyaninate) in the asymmetric unit. The geometries of the two molecules are very similar, with the Mg atoms each 4+1-coordinated by four isoindole N atoms at the base and by the O atom of the water molecule. The Mg atoms are displaced by 0.447 (1) and 0.468 (1) A from the basal coordination planes towards the water O atoms. O-H.N hydrogen bonds form dimers stacked along the b axis in a herring-bone fashion.
标题化合物[Mg(C₃₂H₁₆N₈)(H₂O)]在不对称单元中含有两个MgPc(H₂O)分子（Pc为酞菁酸根）。两个分子的几何结构非常相似，镁原子均通过四个位于底部的异吲哚氮原子以及水分子的氧原子进行4 + 1配位。镁原子从基础配位平面朝着水分子的氧原子方向位移了0.447(1) Å和0.468(1) Å。O—H…N氢键形成沿b轴以人字形方式堆积的二聚体。
