Shirvan Sadif A, Haydari Dezfuli Sara
Department of Chemistry, Omidieh Branch, Islamic Azad University, Omidieh, Iran.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m1008-9. doi: 10.1107/S1600536812028577. Epub 2012 Jun 30.
In the title compound, [Cd(NO(3))(2)(C(5)H(5)N(3)O)(2)(H(2)O)(2)]·2C(5)H(5)N(3)O, the Cd(II) cation is located on a twofold rotation axis and is coordinated by two pyrazine-2-carboxamide ligands and two water mol-ecules and chelated by two nitrate anions in a distorted square-anti-prismatic geometry. Extensive inter-molecular N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds, as well as weak inter-molecular C-H⋯N and C-H⋯O inter-actions occur in the crystal. π-π stacking between between pyrazine rings of coordinating ligands and lattice molecules [centroid-centroid distance = 3.5669 (14) Å] may further stabilize the structure.
在标题化合物[Cd(NO₃)₂(C₅H₅N₃O)₂(H₂O)₂]·2C₅H₅N₃O中，Cd(II)阳离子位于二重旋转轴上，由两个吡嗪-2-甲酰胺配体和两个水分子配位，并被两个硝酸根阴离子以扭曲的四方反棱柱几何构型螯合。晶体中存在广泛的分子间N-H⋯O、N-H⋯N、O-H⋯O和O-H⋯N氢键，以及弱的分子间C-H⋯N和C-H⋯O相互作用。配位配体的吡嗪环与晶格分子之间的π-π堆积[质心-质心距离 = 3.5669 (14) Å]可能进一步稳定结构。
