C–H···O and C–H···N Hydrogen Bond Networks in the Crystal Structures of Some 1,2-Dihydro-N-aryl-4,6-dimethylpyrimidin-2-ones

✍ Scribed by Meiyappan Muthuraman; Yvette Le Fur; Muriel Bagieu-Beucher; René Masse; Jean-François Nicoud; Sumod George; Ashwini Nangia; Gautam R. Desiraju

• Publisher: Elsevier Science
• Year: 2000
• Tongue: English
• Weight: 213 KB
• Volume: 152
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.2000.8685

✦ Synopsis

A set of three aryl dimethyl pyrimidinones have been studied and their crystal structures described in terms of networks of C+H'''O and C+H'''N hydrogen bonds. Two of the three molecules in this study di4er in the replacement of a chloro group by a methyl group and obey the chloro+methyl exchange rule in that they have nearly identical crystal structures. However, and in contrast to other pairs of compounds so related, the chloro and methyl groups here are not merely isosteric but also form similar polarization-induced Cl'''Ph and CH 3 '''Ph contacts. These conjugated molecules may o4er some scope for nonlinear optical studies.