Petrusenko Svitlana R, Belozub Yaroslava I, Kokozay Volodymyr N, Omelchenko Irina V
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1165. doi: 10.1107/S1600536812032187. Epub 2012 Aug 11.
In the title compound, [Cu(C(8)H(8)NO(3))(2)], the nearly planar mol-ecule (r.m.s. deviation = 0.037 Å) is centrosymmetric with the Cu(II) atom lying on an inversion center. The Cu(II) atom is tetra-coordinated, displaying a slightly distorted square-planar geometry. The main deviation from the ideal geometry is seen in the differences in the Cu-O [1.8833 (10) Å] and Cu-N [1.9405 (13) Å] bond lengths, while angular deviations are less than 3°. Intra-molecular O-H⋯O and inter-molecular Csp(2)-H⋯O hydrogen bonds form S(5) and R(2) (2)(8) ring motifs, respectively. The latter inter-action results in chains of mol-ecules along [100].
在标题化合物[Cu(C₈H₈NO₃)₂]中，近乎平面的分子（均方根偏差 = 0.037 Å）是中心对称的，Cu(II)原子位于对称中心上。Cu(II)原子为四配位，呈现出略微扭曲的平面正方形几何构型。与理想几何构型的主要偏差体现在Cu - O [1.8833 (10) Å]和Cu - N [1.9405 (13) Å]键长的差异上，而角度偏差小于3°。分子内的O - H⋯O和分子间的Csp₂ - H⋯O氢键分别形成了S(5)和R₂²(8)环模式。后一种相互作用导致分子沿着[100]方向形成链状结构。
