Journal
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
Volume -, Issue 7, Pages 1553-1558Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b000966k
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We have examined the coordination sites of calcium complexes of macrocyclic bislactams and found that macrocyclic lactams are able to form solid complexes with Ca2+ ions located inside or outside the cavity depending on the ring's size. The X-ray structures for the complex [Ca(1)(H2O)(4)](ClO4)(2) (1-Ca2+) with 20-membered bisamide 1, where a calcium ion is located inside the cavity, and the complex [Ca(5)(2)(ClO4)(2)](n) (5-Ca2+) with 15-membered bisamide 5, where calcium ions are outside the cavity, are reported. Formation of the complex 1-Ca2+ causes conformational change in the ligand structure. The carbonyl oxygen donor groups change their orientation and rotate, becoming directed inside the cavity. Such a conformational change breaks hydrogen bonds within the ligand structure. An X-ray structure is presented as evidence for such a conformational flip. This confirms an earlier postulation for the structure of a 1-Pb2+ complex.
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