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Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate

In the title compound, C(23)H(21)NO(3)S, the piperidine ring of the tetra­hydro­isoquinolinone unit adopts a screw-boat conformation. The thio­phene 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 tetra­hydro­i...

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Autores principales: Akkurt, Mehmet, Karaca, Selvi, Bogdanov, Milen G., Kandinska, Meglena I., Büyükgüngör, Orhan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969771/
https://www.ncbi.nlm.nih.gov/pubmed/21583149
http://dx.doi.org/10.1107/S1600536809017383
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author Akkurt, Mehmet
Karaca, Selvi
Bogdanov, Milen G.
Kandinska, Meglena I.
Büyükgüngör, Orhan
author_facet Akkurt, Mehmet
Karaca, Selvi
Bogdanov, Milen G.
Kandinska, Meglena I.
Büyükgüngör, Orhan
author_sort Akkurt, Mehmet
collection PubMed
description In the title compound, C(23)H(21)NO(3)S, the piperidine ring of the tetra­hydro­isoquinolinone unit adopts a screw-boat conformation. The thio­phene 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 tetra­hydro­isoquinolinone unit. The benzene ring of the tetra­hydro­isoquinolinone unit makes dihedral angles of 83.1 (2) and 62.38 (11)° with the major occupancy thio­phene ring and the phenyl ring, respectively. The dihedral angle between the phenyl ring and the thio­phene ring is 71.0 (2)°. In the crystal structure, mol­ecules are linked together by inter­molecular C—H⋯O and C—H⋯π inter­actions.
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spelling pubmed-29697712010-12-30 Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate Akkurt, Mehmet Karaca, Selvi Bogdanov, Milen G. Kandinska, Meglena I. Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(23)H(21)NO(3)S, the piperidine ring of the tetra­hydro­isoquinolinone unit adopts a screw-boat conformation. The thio­phene 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 tetra­hydro­isoquinolinone unit. The benzene ring of the tetra­hydro­isoquinolinone unit makes dihedral angles of 83.1 (2) and 62.38 (11)° with the major occupancy thio­phene ring and the phenyl ring, respectively. The dihedral angle between the phenyl ring and the thio­phene ring is 71.0 (2)°. In the crystal structure, mol­ecules are linked together by inter­molecular C—H⋯O and C—H⋯π inter­actions. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969771/ /pubmed/21583149 http://dx.doi.org/10.1107/S1600536809017383 Text en © Akkurt et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Akkurt, Mehmet
Karaca, Selvi
Bogdanov, Milen G.
Kandinska, Meglena I.
Büyükgüngör, Orhan
Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
title Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
title_full Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
title_fullStr Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
title_full_unstemmed Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
title_short Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
title_sort methyl trans-(±)-1-oxo-2-phenethyl-3-(thio­phen-2-yl)-1,2,3,4-tetra­hydro­isoquinoline-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969771/
https://www.ncbi.nlm.nih.gov/pubmed/21583149
http://dx.doi.org/10.1107/S1600536809017383
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