Crystal structure of 3,14-dimethyl-2,13-di-aza-6,17-diazo-niatri-cyclo-[16.4.0.0 7,12 ]docosane bis-(per-chlorate) from synchrotron X-ray data

The crystal structure of the title salt, C H N ·2ClO , 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 abou...

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Bibliographic Details
Published inActa crystallographica. Section E, Crystallographic communications Vol. 77; no. Pt 5; pp. 551 - 554
Main Authors Moon, Dohyun, Jeon, Sunghwan, Choi, Jong-Ha
Format Journal Article
LanguageEnglish
Published England International Union of Crystallography 01.05.2021
Subjects
Research Communications
crystal structure
hydrogen bonding
protonated macrocycle
synchrotron radiation
perchlorate
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Summary:The crystal structure of the title salt, C H N ·2ClO , 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 -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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989021004278