Fan Li-Jing, Ma Jian-Fang, Liu Jie
Department of Chemistry, Northeast Normal University, Changchun 130024, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 17;65(Pt 7):m777-8. doi: 10.1107/S1600536809021990.
In the title compound, [Zn(2)(C(36)H(42)N(4)O(2))(CH(3)COO)(2)]·2CH(3)CH(2)OH, a centrosymmetric dinuclear zinc macrocyclic complex is accompanied by two half-occupied ethanol solvent molecues resulting in a 1:2 macrocycle-solvent composition. The Zn(II) atom has a square-pyramidal geometry arising from an N(2)O(3) donor set, being coordinated by two N atoms and two O atoms from the macrocyclic ligand in the equatorial sites and one O atom from an acetate anion in the apical site. The two Zn(II) atoms are linked by two phenolate O atoms, generating a four-membered Zn(2)O(2) ring at the centre of the macrocycle. The tert-butyl group shows rotational disorder over two sets of sites in a 0.552 (12):0.448 (12) ratio. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds are seen and a short intra-molecular C-H⋯O contact occurs.
在标题化合物[Zn₂(C₃₆H₄₂N₄O₂)(CH₃COO)₂]·2CH₃CH₂OH中,一个中心对称的双核锌大环配合物伴随着两个半占据的乙醇溶剂分子,形成1:2的大环-溶剂组成。Zn(II)原子具有由N₂O₃供体集产生的四方锥几何构型,在赤道位置由大环配体的两个N原子和两个O原子配位,在顶端位置由一个乙酸根阴离子的O原子配位。两个Zn(II)原子通过两个酚盐O原子相连,在大环中心形成一个四元Zn₂O₂环。叔丁基在两组位置上呈现旋转无序,比例为0.552 (12):0.448 (12)。在晶体中,可以看到N-H⋯O和O-H⋯O氢键,并且存在短的分子内C-H⋯O接触。