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+ClH2O, (II), recently reported by Carafa, Mesto & Quaranta [Eur. J. Org. Chem. (2011), pp. 24582465], are analysed and discussed with a focus on crystal interaction assembly. Both compounds crystallize in the space group P21/c. The crystal packings are characterized by dimers linked through stacking interactions and intermolecular nonclassical hydrogen bonds, respectively. Additional intermolecular CH...Cl interactions [in (I) and (II)] and classical OH...Cl hydrogen bonds [in (II)] are also evident and contribute to generating three-dimensional hydrogen-bonded networks.
Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undecen-7-ium chloride salts
MESTO, ERNESTO;QUARANTA, Eugenio
2013-01-01
Abstract
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+ClH2O, (II), recently reported by Carafa, Mesto & Quaranta [Eur. J. Org. Chem. (2011), pp. 24582465], are analysed and discussed with a focus on crystal interaction assembly. Both compounds crystallize in the space group P21/c. The crystal packings are characterized by dimers linked through stacking interactions and intermolecular nonclassical hydrogen bonds, respectively. Additional intermolecular CH...Cl interactions [in (I) and (II)] and classical OH...Cl hydrogen bonds [in (II)] are also evident and contribute to generating three-dimensional hydrogen-bonded networks.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
