Malaestean Iurie L, Schmitz Sebastian, Ellern Arkady, Kögerler Paul
Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany.
Acta Crystallogr C. 2013 Oct;69(Pt 10):1144-6. doi: 10.1107/S0108270113025043. Epub 2013 Sep 28.
The structure of the title compound, {[Mg(C4H7O2)2(H2O)3]·H2O}n, features one-dimensional ···(μ2-ib)Mg(μ2-ib)Mg··· zigzag chains (ib is isobutyrate) parallel to the c axis. The octahedral Mg environment is completed by three fac-oriented terminal water ligands, as well as one further monodentate end-on coordinated ib ligand. In the crystal structure, the hydrophobic ib groups are all oriented within one half of the coordination perimeter of each chain, whereas the water ligands, together with hydrogen-bonded noncoordinated solvent water molecules, define the other half. Along the a axis, neighbouring strands are oriented so that both the hydrophilic and hydrophobic sides are adjacent to each other. This results in an extensive hydrogen-bonding network within the hydrophilic areas, also involving an additional solvent water molecule per formula unit. There are van der Waals contacts between the aliphatic isopropyl groups of the hydrophobic areas.
标题化合物{[Mg(C₄H₇O₂)₂(H₂O)₃]·H₂O}ₙ的结构具有平行于c轴的一维···(μ₂-异丁酸根)Mg(μ₂-异丁酸根)Mg···锯齿链（异丁酸根为异丁酸盐）。八面体镁的配位环境由三个面式取向的端基水配体以及另一个单齿端对端配位的异丁酸根配体构成。在晶体结构中，疏水的异丁酸根基团都朝向每条链配位周边的一半范围内，而水配体以及通过氢键相连的未配位溶剂水分子则占据另一半。沿着a轴，相邻链的取向使得亲水侧和疏水侧彼此相邻。这导致在亲水区域内形成广泛的氢键网络，每个化学式单元还涉及一个额外的溶剂水分子。疏水区域的脂肪族异丙基之间存在范德华相互作用。
