The molecule of the title compound, C~26~H~30~N~2~O~4~S, adopts a folded conformation, with the sulfonyl-bound benzene ring lying over the pyridinone ring [centroid-to-centroid distance = 3.893β (1)β Γ ], forming a dihedral angle of 23.87β (5)Β°. The pyrrolidine ring adopts a twist conformation and the d
trans-1-Ethyl-4,4,10-trimethyl-2-tosyl-1,2,3,3a,4,11b-hexahydro-11H-pyrrolo[3,4-c]pyrano[5,6-c]quinolin-11-one
β Scribed by Chinnakali, K. ;Sudha, D. ;Jayagobi, M. ;Raghunathan, R. ;Fun, Hoong-Kun
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 785 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
β¦ Synopsis
The asymmetric unit of the title compound, C 26 H 30 N 2 O 4 S, consists of two independent molecules, A and B, with similar conformations. In both molecules, the pyrrolidine and dihydropyran rings adopt envelope conformations, and are trans-fused; the tosyl group is attached to the pyrrolidine ring in a biaxial position and the sulfonyl group has distorted tetrahedral geometry. The A molecules are linked into a chain along the b axis by C-HΓ Γ ΓO hydrogen bonds, and the inversion-related molecules of adjacent chains are crosslinked into a two-dimensional network parallel to the bc plane via C-HΓ Γ Γ interactions involving the pyridinone ring, and interactions involving the benzene ring of the quinolinone ring system. A similar two-dimensional network is also formed by the B molecules. The centroid-centroid distances for theinteractions in the A and B molecules are 3.5477 (13) and 3.5743 (15) A Λ, respectively. The two-dimensional networks formed by the A and B molecules are arranged alternately along the a axis, and are linked via C-HΓ Γ Γ interactions involving the sulfonyl-bound benzene ring of molecule B.
π SIMILAR VOLUMES
The molecule of the title compound, C~23~H~23~NO~4~S, adopts a folded conformation, with the cyclopentadienone ring and tosyl groups arranged in an almost face-to-face fashion. The pyrrolidine ring has an envelope conformation and the dihydropyran ring is in a half-chair conformation. The pyrrolidin
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.001 A Disorder in main residue R factor = 0.044 wR factor = 0.131 Data-to-parameter ratio = 44.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~26~H~24~N~2~S, the six- and seven-membered heterocyclic rings adopt half-chair and near-boat conformations, respectively. The molecular conformation is influenced by two weak intramolecular CβH...N interactions. The crystal structure is stablized by intermolecular CβH...N an