Abstract

The asymmetric unit of the title compound, C27H24N4O2·0.5C2H6O, comprises two crystallographically independent mol­ecules (A and B) with slightly different conformations, and one ethanol mol­ecule of crystallization. Intra­molecular C—H⋯O and O—H⋯O hydrogen bonds generate six- and eight-membered rings, producing S(6) and S(8) ring motifs, respectively. In mol­ecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11) and 0.458 (11). The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9) and 82.6 (2)/88.9 (2)° in mol­ecule A, and 80.81 (8) and 79.38 (8)° in mol­ecule B. In the crystal structure, mol­ecules form infinite one-dimensional chains in the (101) plane. The crystal structure is stabilized by inter­molecular O—H⋯N, N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, weak C—H⋯π and π–π [centroid–centroid = 3.5496 (1) Å] inter­actions.

Highlights

  • The asymmetric unit of the title compound, C27H24N4O20.5C2H6O, comprises two crystallographically independent molecules (A and B) with slightly different conformations, and one ethanol molecule of crystallization

  • The dihedral angles between the central benzene ring and the two outer benzene rings are

  • We planned to synthesize propenones containing pyrazole moiety and we report here the structure of the title compound, I, Fig. 1

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Summary

Data collection

The asymmetric unit of the title compound, C27H24N4O20.5C2H6O, comprises two crystallographically independent molecules (A and B) with slightly different conformations, and one ethanol molecule of crystallization. H O and O—H O hydrogen bonds generate six- and eight-membered rings, producing S(6) and S(8) ring motifs, respectively. In molecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of. The dihedral angles between the central benzene ring and the two outer benzene rings are. Molecules form infinite one-dimensional chains in the (101). H N, N—H N, N—H O and C—H O hydrogen bonds, weak C—H and – [centroid–centroid = 3.5496 (1) Å]

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