Title of article :
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
Author/Authors :
Moon, Dohyun Pohang Accelerator Laboratory, Republic of Korea , Jeon, Sunghwan Department of Chemistry - Andong National University, Republic of Korea , Choi, Jong-Ha Department of Chemistry - Andong National University, Republic of Korea
Abstract :
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.
Keywords :
crystal structure , protonated macrocycle , perchlorate , synchrotron radiation , hydrogen bonding
Journal title :
Acta Crystallographica Section E: Crystallographic Communications