RESUMEN
The title compounds, C32H35NO2, (I), and C30H29Br2NO2, (II), differ by the presence of a bromine atom instead of a methyl atom in the para position of two benzene rings of compound (II). The two compounds have a structural overlap r.m.s. deviation of 0.27â Å. The pyran and seven-membered cyclo-heptene rings in both structures adopt boat and boat-sofa conformations, respectively. Intra- and inter-molecular C-Hâ¯O hydrogen bonds are responsible for the consolidation of the crystal packing of both mol-ecules. In addition to this, weak C-Hâ¯π inter-actions are also observed. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis.
RESUMEN
In the title compound, C21H18N2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methyl-ene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3â (1)°. The 1,2-diazole ring forms dihedral angles of 41.9â (1) and 65.5â (1)° with the phenyl and 4-tolyl rings, respectively. In the crystal, stabilizing C-Hâ¯O, C-Hâ¯π and π-π inter-actions are evident. The calculated Hirshfeld surfaces highlight the prominent role of C-Hâ¯O inter-actions (8.6%), along with Hâ¯H (51.7%) and Câ¯H/Hâ¯C (29.2%) surface contacts.
RESUMEN
In the title compound, C20H15ClN2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methyl-ene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and chloro-benzene rings is 74.5â (1)°. The heterocyclic ring forms dihedral angles of 37.9â (1) and 64.3â (1)° with the phenyl and chloro-benzene rings, respectively. In the crystal, weak C-Hâ¯O inter-actions feature predominantly within the three-dimensional architecture. The inter-molecular inter-actions are further analysed with the calculation of the Hirshfeld surfaces highlighting the prominent role of C-Hâ¯O inter-actions, along with Hâ¯H (36.8%) and Câ¯H/Hâ¯C (26.5%) contacts.