Publication: Methyl trans-(+/-)-1-oxo-2-phenethyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
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Abstract
In the title compound, C<inf>23</inf>H<inf>21</inf>NO<inf>3</inf>S, the piperidine ring of the tetra-hydro-isoquinolinone unit adopts a screw-boat conformation. The thio-phene ring is disordered in a 0.700 (3):0.300 (3) ratio by an approximate 180° rotation of the ring around the C - C bond linking the ring to the tetra-hydro-isoquinolinone unit. The benzene ring of the tetra-hydro-isoquinolinone unit makes dihedral angles of 83.1 (2) and 62.38 (11)° with the major occupancy thio-phene ring and the phenyl ring, respectively. The dihedral angle between the phenyl ring and the thio-phene ring is 71.0 (2)°. In the crystal structure, mol-ecules are linked together by inter-molecular C - H⋯O and C - H⋯π inter-actions.
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Source
Acta Crystallographica Section E: Structure Reports Online
Volume
65
Issue
6
Start Page
o1287
End Page
o1288
