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
Pages :
9
From page :
1
To page :
9
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
Serial Year :
2021
Full Text URL :
Record number :
2622090
Link To Document :
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