链-聚[[三水(异丁酸-κO)镁(II)]-μ-异丁酸-κ(2)O:O']一水化合物的之字形聚合物链]。

IF 0.8 4区 化学 Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-10-01 Epub Date: 2013-09-28 DOI:10.1107/S0108270113025043
Iurie L Malaestean, Sebastian Schmitz, Arkady Ellern, Paul Kögerler
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引用次数: 5

摘要

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-ib)Mg(μ2-ib)Mg···之字形链(ib为异丁酸盐)。八面体Mg环境由三个面取向末端水配体和一个单齿末端配体完成。在晶体结构中,疏水性ib基团都在每条链的一半配位周长内定向,而水配体与氢键非配位溶剂水分子一起定义另一半配位周长。沿着a轴,相邻的链是定向的,使得亲水性和疏水性两边彼此相邻。这导致在亲水区域内形成广泛的氢键网络,也涉及到每个配方单位额外的溶剂水分子。疏水区的脂肪族异丙基之间存在范德华接触。
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Zigzag polymer chains in catena-poly[[[triaqua(isobutyrato-κO)magnesium(II)]-μ-isobutyrato-κ(2)O:O'] monohydrate].

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.

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期刊介绍: Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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Equilin. (+-)-Tartaric acid. DL-Proline. DL-Alanine. The Etymology of Chemical Names. Tradition and Convenience vs. Rationality in Chemical Nomenclature. By Alexander Senning. De Gruyter, 2019. Hardcover, Pp. xiv+505. Price EUR 149.95, USD 172.99, GBP 136.50. ISBN 978-3-11-061106-9.
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