Ahmadi Roya, Kalateh Khadijeh, Alizadeh Robabeh, Khoshtarkib Zeinab, Amani Vahid
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 1;65(Pt 8):m848-9. doi: 10.1107/S1600536809024180.
The asymmetric unit of the title compound, [HgCl(2)(C(26)H(20)N(2))]·0.5CH(3)CN, contains two crystallographic-ally independent [HgCl(2)(C(26)H(20)N(2))] mol-ecules and one acetonitrile solvent mol-ecule. The Hg(II) atoms are four-coordin-ated in distorted tetra-hedral configurations by two N atoms from 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline ligands and two Cl atoms. The ligand ring systems are not planar. The phenyl rings are oriented at dihedral angles of 74.61 (3) and 66.00 (3)° in the two molecules. In the crystal structure, π-π contacts between phenanthroline rings [centroid-centroid distances = 3.809 (1), 3.686 (1), 3.986 (1), 3.877 (1), 3.697 (1), 3.789 (1), 3.745 (1), 3.797 (1) and 3.638 (1) Å] may stabilize the structure.
标题化合物[HgCl₂(C₂₆H₂₀N₂)]·0.5CH₃CN的不对称单元包含两个晶体学独立的[HgCl₂(C₂₆H₂₀N₂)]分子和一个乙腈溶剂分子。Hg(II)原子通过来自2,9-二甲基-4,7-二苯基-1,10-菲咯啉配体的两个N原子和两个Cl原子以扭曲的四面体构型进行四配位。配体环系不是平面的。在这两个分子中，苯环的二面角分别为74.61 (3)°和66.00 (3)°。在晶体结构中，菲咯啉环之间的π-π接触[质心-质心距离 = 3.809 (1)、3.686 (1)、3.986 (1)、3.877 (1)、3.697 (1)、3.789 (1)、3.745 (1)、3.797 (1)和3.638 (1) Å]可能使结构稳定。
