Crystal structure, endo/exodentate conformations, spectroscopic properties, and Hirshfeld surface analysis of two constrained cyclam compounds with bromides and hydrates

The crystal structure of the title salt, C20H42N4 2+·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.

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Crystal structure, endo/exodentate conformations, spectroscopic properties, and Hirshfeld surface analysis of two constrained cyclam compounds with bromides and hydrates

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References 28 publications

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Crystal structure, endo/exodentate conformations, spectroscopic properties, and Hirshfeld surface analysis of two constrained cyclam compounds with bromides and hydrates

Cited by 4 publications

References 28 publications

Synthesis, characterization of Ru(III) macrocyclic complex with hirshfeld analysis and drug likeness study

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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

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Product

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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