含氰化物基团的低维化合物。第二十六章。(二氰胺-κN(1))双(5,5'-二甲基-2,2'-联吡啶-κ(2)N,N')铜(II)配合物与四氟硼酸盐和高氯酸盐阴离子。

IF 0.8 4区 化学 Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-11-01 Epub Date: 2013-10-12 DOI:10.1107/S0108270113027091
Ivan Potočňák, Milan Burčák, Michal Dušek
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引用次数: 0

摘要

(二氰胺-κN(1))双(5,5′-二甲基-2,2′-联吡啶-κ(2)N,N′)铜(II)四氟硼酸盐,[Cu{N(CN)2}(C12H12N2)2]BF4, (I)和(二氰胺-κN(1))双(5,5′-二甲基-2,2′-联吡啶-κ(2)N,N′)铜(II)高氯酸盐,[Cu{N(CN)2}(C12H12N2)2]ClO4, (II)是同构的,分别由[Cu{N(CN)2}(mbpy)2](+)阳离子(mbpy为5,5′-二甲基-2,2′-联吡啶))和[Cu{N(CN)2}(mbpy)2](+)组成(mbpy为5,5′-二甲基-2,2′-联吡啶))和BF4(-)或ClO4(-)阴离子组成。两种结构中的Cu(II)阳离子在扭曲的三角双锥体环境中由两个mbpy配体的4个N原子和双氰胺阴离子的1个N原子组成,在赤道平面上以单齿方式配位,Cu-N距离分别为(I)和(II)中的1.980(3)和1.977 (2)Å。两个轴向Cu-Nmbpy键的平均值非常相似[1.986 (1)Å],并且比其他两个赤道Cu-Nmbpy键短。这些在单个化合物中具有不同的值,但在(I)和(II)中形成两对相似的键[平均分别为2.066(8)和2.112 (2)Å]。除了这两种结构中的离子力外,碳-氢…N和C-H…X氢键(分别为X = F和O)和相邻mbpy分子的吡啶环之间的π-π相互作用。
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Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κN(1))bis(5,5'-dimethyl-2,2'-bipyridine-κ(2)N,N')copper(II) complexes with tetrafluoroborate and perchlorate anions.

(Dicyanamido-κN(1))bis(5,5'-dimethyl-2,2'-bipyridine-κ(2)N,N')copper(II) tetrafluoroborate, [Cu{N(CN)2}(C12H12N2)2]BF4, (I), and (dicyanamido-κN(1))bis(5,5'-dimethyl-2,2'-bipyridine-κ(2)N,N')copper(II) perchlorate, [Cu{N(CN)2}(C12H12N2)2]ClO4, (II), are isomorphous and consist of [Cu{N(CN)2}(mbpy)2](+) cations (mbpy is 5,5'-dimethyl-2,2'-bipyridine) and BF4(-) or ClO4(-) anions, respectively. The Cu(II) cations in both structures are five-coordinated in distorted trigonal bipyramidal environments by four N atoms of two mbpy ligands and one N atom of the dicyanamide anion, which is coordinated in a monodentate manner in the equatorial plane, with Cu-N distances of 1.980 (3) and 1.977 (2) Å in (I) and (II), respectively. The two axial Cu-Nmbpy bonds have very similar values [1.986 (1) Å on average] and are shorter than the other two equatorial Cu-Nmbpy bonds. These have different values in the individual compounds but nevertheless form two pairs of similar bonds in (I) and (II) [2.066 (8) and 2.112 (2) Å, respectively, on average]. Besides the ionic forces in both structures, the structures are stabilized by C-H...N and C-H...X hydrogen bonds (X = F and O, respectively), and by π-π interactions between the pyridine rings of neighbouring mbpy molecules.

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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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