(6′R*,7′R*)-7′-(1,3,-Diphenyl-1H-pyrazol-4- yl)-1,2,5′,6′,7′,7a',3′′,4′′- octahydro-1′H,2′′H-dispiro[acenaphthylene-1, 5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-[1]benzopyran]-2, 4′′-dione

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Abstract

In the title compound, C40H29N3O 3S, the pyran ring adopts a sofa conformation, the thiazolidine ring adopts a twisted conformation and the pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and forms dihedral angles of 4.8 (1) and 39.0 (1)°, respectively, with the benzene rings attached to the N and C atoms. The acenapthylene ring system is approximately planar [maximum deviation = 0.058 (2) Å] and forms dihedral angles of 85.9 (1) and 48.5 (1)°, respectively, with the pyrollothiazole and chromene ring systems. The molecular conformation is stabilized by three weak intramolecular C-H⋯O hydrogen bonds, which generate one S(8) and two S(6) ring motifs. In the crystal, pairs of C-H⋯O hydrogen bonds link centrosymmetrically related molecules into dimers, generating R22(14) ring motifs. The crystal packing also features pairs of C-H⋯π interactions, which link the dimers into a supramolecular chain along the b axis.

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Murugan, J., Haribabu, J., Reddy, B. S. R., Rajarajan, G., & Murugavel, S. (2013). (6′R*,7′R*)-7′-(1,3,-Diphenyl-1H-pyrazol-4- yl)-1,2,5′,6′,7′,7a’,3′′,4′′- octahydro-1′H,2′′H-dispiro[acenaphthylene-1, 5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-[1]benzopyran]-2, 4′′-dione. Acta Crystallographica Section E: Structure Reports Online, 69(4). https://doi.org/10.1107/S1600536813005825

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