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

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 77; no. Pt 5; p. 551
• Main Authors: Moon, Dohyun, Jeon, Sunghwan, Choi, Jong-Ha
• Format: Journal Article
• Language: English
• Published: 01.05.2021
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989021004278

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.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.