Hydrogen-bond networks in the mono- and diprotonated cyclic diamine [9]aneN2S |
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Authors: | Craig A. Grapperhaus Ming Li Erica R. Gibson Mark S. Mashuta |
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Affiliation: | (1) Department of Chemistry, University of Louisville, Louisville, Kentucky, 40292 |
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Abstract: | The hydrogen-bond networks in the mono- and diprotonated cyclic diamine, 1-thia-4,7-diazacyclononane, [9]aneN2S, have been examined. Crystals of the monoprotonated, form [9]aneN2S HCl, contain a ribbon-like network of alternating strong and weak intermolecular NH Cl hydrogen bonds and weak intramolecular NH N hydrogen bonds. Crystal data for [9]aneN2S HCl: monoclinic, a = 6.6640(6) Å, b = 10.3493(9) Å, c = 6.9807(6) Å, = 108.847(1)°, V = 455.63(7) Å3, space group P21, Z = 2. In the di-protonated form, [9]aneN2S 2HBr, the ribbon-like network comprises strong intermolecular and weak intramolecular NH Br hydrogen bonds. Crystal data for [9]aneN2S 2HBr: orthorhombic, a = 12.5918(13) Å, b = 8.0753(9) Å, c = 10.6856(11) Å, V = 1086.5(2) Å3, space group Pnma, Z = 4. The chloride anions of [9]aneN2S HCl align in interlocking columns in the a- and c-direction whereas the bromide anions in [9]aneN2S 2HBr occupy channels in the b-direction. |
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Keywords: | Cyclononane macrocycle hydrogen bonds supramolecular chemistry N2S ligand |
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