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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969771 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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