首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 4-{2-4-(di­methyl­amino)­phen­yldiazen-1-yl}-1-methyl­pyridinium iodide
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Crystal structure of 4-{2-4-(di­methyl­amino)­phen­yldiazen-1-yl}-1-methyl­pyridinium iodide

机译:4- {2- 4-(二­甲基­氨基)­苯基重氮-1-基} -1-­甲基碘化的晶体结构

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摘要

The mol­ecular geometry of the ionic title compound, C14H17N4 +·I or DAZOP+·I, is essentially featureless. Regarding the crystal structure, in addition to the obvious cation–anion Coulombic inter­actions, the packing is mostly directed by non-covalent inter­actions involving both ring systems, as well as the iodide anion. It consists of cationic mol­ecules aligned along [101] and disposed in an anti­parallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid–centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C—H⋯I and I⋯π (I⋯centroid = 3.876 Å) inter­actions involving the anion. Finally, inter­dimeric contacts are of the C—H⋯I and C—H⋯π types.
机译:离子标题化合物C14H17N4 + ·I -或DAZOP + ·I -的分子几何结构是本质上没有特色。关于晶体结构,除了明显的阳离子-阴离子库仑相互作用之外,堆积主要由涉及两个环系统以及碘阴离子的非共价相互作用控制。它由沿着[101]排列并以反平行方式排列的阳离子分子组成,同时通过涉及对称相关苯环的堆积接触连接到π键合的二聚体,质心间的距离为3.468(3)Å,并发生滑动为0.951Å。此外,二聚体还受涉及阴离子的许多CH-I和I-π(I-质心= 3.876Å)相互作用的影响。最后,二聚体接触是CHI和CHII型的。

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