Abstract
The title compound, C19H18N4O2, crystallizes with two independent mol-ecules in the asymmetric unit. The triazole ring is inclined to the benzene rings by 9.63 (13) and 87.37 (12)° in one mol-ecule, and by 4.46 (13) and 86.15 (11)° in the other. In the crystal, classical N-H⋯N hydrogen bonds, weak C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions link the mol-ecules into a three-dimensional supra-molecular network. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (51.4%), H⋯C/C⋯H (26.7%), H⋯O/O⋯H (8.9%) and H⋯N/N⋯H (8%) inter-actions.
Highlights
The title compound, C19H18N4O2, crystallizes with two independent molecules in the asymmetric unit
Classical N—HÁ Á ÁN hydrogen bonds, weak C—HÁ Á ÁO hydrogen bonds and weak C—HÁ Á Á interactions link the molecules into a three-dimensional supramolecular network
Hirshfeld surface analysis and twodimensional fingerprint plots were used to investigate the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from HÁ Á ÁH (51.4%), HÁ Á ÁC/CÁ Á ÁH (26.7%), HÁ Á ÁO/OÁ Á ÁH (8.9%) and HÁ Á ÁN/NÁ Á ÁH (8%) interactions
Summary
One of the earliest known multi-component reactions (MCRs) is the Biginelli multi-component cyclocondensation. Its variations are still a timely subject for research because of the near unlimited scope of this approach and the constant demand for molecular diversity of small molecules in many areas such as drug discovery, combinatorial and medicinal chemistry (Kappe, 2000; Slobbe et al, 2012). As we had previously synthesized a type of oxygen-bridged Biginelli compounds derivatives, (Gumus ̧ et al, 2017), we decided to examine the structure of this heterocyclic system by X-ray analysis (Aydemir et al, 2018; Gumus ̧ et al, 2018). A novel Biginelli-like assembly of 3-amino-5-(phenyl)1,2,4-triazole with acetone and 2-hydroxy-3-methoxybenzaldehyde has been developed to offer easy access to 7-methoxy-5-methyl-2-(phenyl)-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazocine compounds as examples of a new class of heterocycles.
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