Hydrogen‐bonded and π‐interaction assembly in two 8‐alkoxycarbonyl‐1, 8‐diazabicyclo[5.4.0]undec‐7‐enium chloride salts. (13th March 2013)

• Record Type: Journal Article
• Authors: Mesto, E.; Quaranta, E.
• Is Part Of: Acta crystallographica. Volume 69:Part 4(2013:Apr.)
• Page Start: 444
• Page End: 447
• Publication Date: 2013-03-13
• Subjects: Crystallography -- Periodicals; Crystals -- Periodicals; 548.05
• DOI: 10.1107/S0108270113005970
• Languages: English
• ISSNs: 0108-2701

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The crystal structures of 8‐phenoxycarbonyl‐1, 8‐diazabicyclo[5.4.0]undec‐7‐enium chloride, C₁₆H₂₁N₂O₂⁺·Cl⁻, (I), and 8‐methoxycarbonyl‐1, 8‐diazabicyclo[5.4.0]undec‐7‐enium chloride monohydrate, C₁₁H₁₉N₂O₂⁺·Cl⁻·H₂O, (II), recently reported by Carafa, Mesto &amp; Quaranta [<italic>Eur. J. Org. Chem.</italic> (2011), pp. 2458–2465], are analysed and discussed with a focus on crystal interaction assembly. Both compounds crystallize in the space group <italic>P</italic>2₁/<italic>c</italic>. The crystal packings are characterized by dimers linked through π–π stacking interactions and intermolecular nonclassical hydrogen bonds, respectively. Additional intermolecular C—H...Cl interactions [in (I) and (II)] and classical O—H...Cl hydrogen bonds [in (II)] are also evident and contribute to generating three‐dimensional hydrogen‐bonded networks.</p> </abstract>