Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



su2576 scheme

Acta Cryst. (2013). E69, o750-o751    [ doi:10.1107/S1600536813009276 ]

(1S,3'S,3a'R,6'S)-6'-(2-Chlorophenyl)-3'-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-2-oxo-3',3'a,4',6'-tetrahydro-2H,2'H-spiro[acenaphthylene-1,1'-pyrrolo[1,2-c][1,3]thiazole]-2',2'-dicarbonitrile

S. K. Devi, T. Srinivasan, R. Rajesh, R. Raghunathan and D. Velmurugan

Abstract: The molecular conformation of the title compound, C41H29ClN4O3S, is stabilized by intramolecular C-H...O and C-H...Cl hydrogen bonds. The thiazole ring adopts an envelope conformation with the N atom as the flap, while the pyrrolidine ring has a twisted conformation on the N-C bond involving the spiro C atom. The [beta] lactam ring makes dihedral angles of 39.74 (15) and 16.21 (16)° with the mean planes of the thiazole and pyrrolidine rings, respectively. The thiazole ring mean plane makes dihedral angles of 23.79 (13) and 70.88 (13) ° with the pyrrolidine and cyclopentane rings, respectively, while the pyrrolidine ring makes a dihedral angle of 85.63 (13)° with the cyclopentane ring. The O atom attached to the [beta] lactam ring deviates from its mean plane by 0.040 (2) Å, while the O atom attached to the cyclopentane ring deviates from its mean plane by 0.132 (2) Å. In the crystal, molecules are linked by C-H...O hydrogen bonds, forming chains along [010], and C-H...[pi] and [pi]-[pi] interactions [centroid-centroid distance = 3.6928 (17) Å].


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