<abstract xmlns="http://www.w3.org/1999/xhtml">The title compound, C13H15NO3S, is a chiral molecule with two stereogenic centres. Its absolute configuration was derrived from the synthesis and confirmed by structure determination. The expected stereochemistry of atoms C5 and C6 was confirmed to be <italic>S.</italic> The central N-heterocyclic rings are not planar and adopt a half-chair conformation. A calculation of least-squares planes showed that these rings are puckered in such a manner that the five atoms C1, C2, C3, C5 and N1 (second ring: N1, C6, C7, C10 and C11) are planar, while atoms C4 (C5) are displaced from these planes with the out-of-plane displacement of 0.582 (3) Å and 0,666 (2) Å in the second ring, respectively. Dihedral angle between the planes of the central N-heterocyclic rings is 40.0 (1)°. Crystal structure is stabilized by C—H···O hydrogen interactions.</abstract>

The title compound, C13H15NO3S, is a chiral molecule with two stereogenic centres. Its absolute configuration was derrived from the synthesis and confirmed by structure determination. The expected stereochemistry of atoms C5 and C6 was confirmed to be S. The central N-heterocyclic rings are not planar and adopt a half-chair conformation. A calculation of least-squares planes showed that these rings are puckered in such a manner that the five atoms C1, C2, C3, C5 and N1 (second ring: N1, C6, C7, C10 and C11) are planar, while atoms C4 (C5) are displaced from these planes with the out-of-plane displacement of 0.582 (3) Å and 0,666 (2) Å in the second ring, respectively. Dihedral angle between the planes of the central N-heterocyclic rings is 40.0 (1)°. Crystal structure is stabilized by C—H···O hydrogen interactions.

Crystal and molecular structure of (9aS,10S)-6-Oxo-6,7,8,9,9a,10-hexahydro-4H-thieno-[2,3-b]quinolizin-10-yl acetate

Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava,

Institute of Mathematics and Physics, Faculty of Mechanical Engineering, Slovak University of Technologyy, Námestie slobody 17, SK-812 31 Bratislava,

Institute of Organic Chemistry, Catalysis and Petrochemistry, Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava,

Acta Chimica Slovaca

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

The title compound, C13H15NO3S, is a chiral molecule with two stereogenic centres. Its absolute configuration was derrived from the synthesis and confirmed by...

Crystal and molecular structure of (9aS,10S)-6-Oxo-6,7,8,9,9a,10-hexahydro-4H-thieno-[2,3-b]quinolizin-10-yl acetate

Publié en ligne: 08 déc. 2016

Pages: 180 - 183

DOI: https://doi.org/10.1515/acs-2016-0030

Mots clés
crystal structure, hydrogen interactions, quinolizine, single-crystal X-ray study

© 2016 Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Crystal and molecular structure of (9aS,10S)-6-Oxo-6,7,8,9,9a,10-hexahydro-4H-thieno-[2,3-b]quinolizin-10-yl acetate

Publié en ligne: 08 déc. 2016

Pages: 180 - 183

DOI: https://doi.org/10.1515/acs-2016-0030

Mots cléscrystal structure, hydrogen interactions, quinolizine, single-crystal X-ray study

© 2016 Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Mots clés
crystal structure, hydrogen interactions, quinolizine, single-crystal X-ray study