Crystal structure of 3,14-dimethyl-2,13-di-aza-6,17-diazo-niatri-cyclo-[16.4.0.07,12]docosane bis-(per-chlorate) from synchrotron X-ray data

来自同步加速器 X 射线数据的 3,14-二甲基-2,13-二氮杂-6,17-重氮-硝三-环-[16.4.0.07,12]二十二烷双(高氯酸盐)的晶体结构

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作者:Dohyun Moon, Sunghwan Jeon, Jong-Ha Choi

Abstract

The crystal structure of the title salt, C20H42N4 2+·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 intra-molecular N-H⋯N, and inter-molecular 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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