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Crystal structure of 3,14-dimethyl-2,13-di­aza-6,17-diazo­niatri­cyclo­[16.4.0.07,12]docosane bis­(per­chlorate) from synchrotron X-ray data

Acta crystallographica. Section E, Crystallographic communications(2021)

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摘要
The crystal structure of the title salt, C20H42N42+·2ClO4−, has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intra­molecular N—H⋯N, and inter­molecular N—H⋯O and C–H⋯O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network.
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关键词
crystal structure,protonated macrocycle,perchlorate,hydrogen bonding,synchrotron radiation
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