Lemoine Pascale, Viossat Bernard, Brion Jean Daniel, Bekaert Alain
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):m891-2. doi: 10.1107/S1600536808016838.
In the title compound, [ZnBr(2)(C(11)H(12)N(2)O(2))(2)], the Zn(II) ion is coordinated by two Br atoms and two O atoms from two 4-hydroxy-anti-pyrine mol-ecules via the carbonyl O atoms, which act as monodentate ligands, giving rise to a distorted tetra-hedral geometry. The values of the bond angles at the Zn atom are in the range 99.4 (1) to 113.2 (1)°. The presence of O-H⋯O and O-H⋯Br intra-molecular hydrogen bonds can explain the difference between the two Zn-O [1.961 (3)/2.015 (3) Å] and the two Zn-Br [2.350 (1)/2.378 (1) Å] bond lengths. The crystal structure is governed by C-H⋯O, C-H⋯Br and Zn-Br⋯Cg(π-ring) inter-actions.
在标题化合物[ZnBr₂(C₁₁H₁₂N₂O₂)₂]中，Zn(II)离子通过两个4-羟基安替比林分子的两个羰基O原子与两个Br原子和两个O原子配位，这两个羰基O原子作为单齿配体，形成扭曲的四面体几何构型。Zn原子处的键角值在99.4 (1)°至113.2 (1)°范围内。分子内O—H⋯O和O—H⋯Br氢键的存在可以解释两个Zn—O键长[1.961 (3)/2.015 (3) Å]以及两个Zn—Br键长[2.350 (1)/2.378 (1) Å]之间的差异。晶体结构由C—H⋯O、C—H⋯Br和Zn—Br⋯Cg(π-环)相互作用决定。
