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(11aS)-1,5,11,11a-Tetra-hydro-1-benzo-thieno[3,2-f]indolizin-3(2H)-one.

ABSTRACT: The absolute configuration of the title compound, C14H13NOS, was assigned from the synthesis and confirmed by the structure determination. There are two independent mol-ecules in the asymmetric unit. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviations from the mean planes being 0.569?(3) and 0.561?(3)?Å for the indolizine bridgehead C atoms of the two mol-ecules. The benzothieno ring attached to the indolizine ring system is planar to within 0.015?(3)?Å in both mol-ecules. In the crystal, weak C-H?O and C-H?? inter-actions lead to the formation of a three-dimensional framework structure.

SUBMITTER: Vrabel V

PROVIDER: S-EPMC3885070 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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(11aS)-1,5,11,11a-Tetra-hydro-1-benzo-thieno[3,2-f]indolizin-3(2H)-one.

Vrábel Viktor V Sivý Július J Safář Peter P Kožíšek Jozef J

Acta crystallographica. Section E, Structure reports online 20131123 Pt 12

The absolute configuration of the title compound, C14H13NOS, was assigned from the synthesis and confirmed by the structure determination. There are two independent mol-ecules in the asymmetric unit. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviations from the mean planes being 0.569 (3) and 0.561 (3) Å for the indolizine bridgehead C atoms of the two mol-ecules. The benzothieno ring attached to the indolizine ring system is planar ...[more]

PMID: 24454246

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