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(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
The molecular conformation of the title compound, C(41)H(29)ClN(4)O(3)S, 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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648279/ https://www.ncbi.nlm.nih.gov/pubmed/23723899 http://dx.doi.org/10.1107/S1600536813009276 |
Sumario: | The molecular conformation of the title compound, C(41)H(29)ClN(4)O(3)S, 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 β 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 β 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⋯π and π-π interactions [centroid-centroid distance = 3.6928 (17) Å]. |
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