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Crystal structure of 3,14-dimethyl-2,13-di­aza-6,17-diazo­niatri­cyclo­[16.4.0.0(7,12)]docosane bis­(per­chlorate) from synchrotron X-ray data

The crystal structure of the title salt, C(20)H(42)N(4) (2+)·2ClO(4) (−), 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 dicati...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Jeon, Sunghwan, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100260/
https://www.ncbi.nlm.nih.gov/pubmed/34026263
http://dx.doi.org/10.1107/S2056989021004278
Descripción
Sumario:The crystal structure of the title salt, C(20)H(42)N(4) (2+)·2ClO(4) (−), 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.