Portilla Jaime, Quiroga Jairo, Cobo Justo, Nogueras Manuel, Low John N, Glidewell Christopher
Grupo de Investigación de Compuestos Heterocíclicos, Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
Acta Crystallogr C. 2005 Jun;61(Pt 6):o398-403. doi: 10.1107/S0108270105013260. Epub 2005 May 20.
Molecules of 5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline, C21H17N3, (I), are linked into chains by a combination of a C-H...pi(arene) hydrogen bond and a pi-pi stacking interaction; in the closely related 5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline, C22H19N3, (II), there are no hydrogen bonds and the molecules are linked into centrosymmetric dimers by a pi-pi stacking interaction. 7-Methyl-10-phenyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline, C21H17N3, (III), is isomeric with (I), and the molecules of (III) are linked into sheets by a combination of C-H...N and C-H...pi(arene) hydrogen bonds. 7-Methyl-10-(4-methylphenyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline, C22H19N3, (IV), is isomeric with (II), and molecules of (IV) are linked into centrosymmetric dimers by a C-H...pi(arene) hydrogen bond, augmented by pi-pi stacking interactions.
5-甲基-2-苯基-6,7-二氢苯并[h]吡唑并[1,5-a]喹唑啉（C21H17N3，（I））分子通过C-H...π（芳烃）氢键和π-π堆积相互作用的组合连接成链；在密切相关的5-甲基-2-（4-甲基苯基）-6,7-二氢苯并[h]吡唑并[1,5-a]喹唑啉（C22H19N3，（II））中，不存在氢键，分子通过π-π堆积相互作用连接成中心对称二聚体。7-甲基-10-苯基-5,6-二氢苯并[h]吡唑并[5,1-b]喹唑啉（C21H17N3，（III））与（I）同分异构，（III）的分子通过C-H...N和C-H...π（芳烃）氢键的组合连接成片层。7-甲基-10-（4-甲基苯基）-5,6-二氢苯并[h]吡唑并[5,1-b]喹唑啉（C22H19N3，（IV））与（II）同分异构，（IV）的分子通过C-H...π（芳烃）氢键连接成中心对称二聚体，并通过π-π堆积相互作用增强。
