Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/
- 6 February 2002
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 3,p. 393-397
- https://doi.org/10.1039/b200402j
Abstract
A possible bidentate receptor with two kinds of nitrogen atoms, 2,11-diaza[3.3](3,5)pyridinophane 1, was synthesized. A VT 1H NMR study and ab initio MO calculations indicated that the two conformers of 1, boat–boat and chair–boat, have almost the same stabilities. The free energy barrier ΔG‡ for the conformational change is estimated to be 10.4 kcal mol−1 (Tc = −55 °C). An X-ray crystallographic study revealed that 1 forms a hydrogen-bonding network in the crystalline state.Keywords
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