Abstract
The central eight-membered ring of the title compound, C40H36N8O2, deviates from the ideal boat conformation because the bond between the exo-ethylene group and the adjacent N atom is twisted by 60.0 (4)° due to steric hindrance. Its adjacent benzene and pyrazole rings are oriented almost perpendicular to each other, making a dihedral angle of 85.8 (3)°. In the crystal, the molecules are linked by C(ar)—H⋯O hydrogen bonds, generating a three-dimensional network.
Highlights
The central eight-membered ring of the title compound, C40H36N8O2, deviates from the ideal boat conformation because the bond between the exo-ethylene group and the adjacent N atom is twisted by 60.0 (4) due to steric hindrance
We performed the Bischler-Napierlaski reaction (Plescia et al, 1979) on 2-acetamido-N-methyl-N-(3-methyl-1phenyl-1H-pyrazol-5-yl)benzamide by phosphorus oxychloride under reflux, obtaining an unexpected product related to a benzodiazocine system, whose corrected structure is reported (Fig. 1)
The molecule crystallizes in a non-centrosymmetric space group: the possibility of the centrosymmetric space group C2/c was discounted by lack of a suitable solution and by the wholly satisfactory refinement in the space group Cc
Summary
Mangiagalli, 25, 20133-Milano, Italy, and bDipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, University of Palermo, via Archirafi, 32, 90123-Palermo, Italy
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