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

Sunghwan Jeon¹  Jong-Ha Choi¹  Dohyun Moon² 

[1] Department of Chemistry, Andong National University, Andong 36729, Republic of Korea;Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of Korea;

关键词: crystal structure;    protonated macrocycle;    perchlorate;    hydrogen bonding;    synchrotron radiation;   

DOI  :  10.1107/S2056989021004278

来源: DOAJ

【 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.

【 授权许可】

Unknown