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trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate
The title compound, C(29)H(27)NO(4)S(2), was synthesized by reaction of trans-rac-4-(hydroxymethyl)-2-phenethyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one and 4-methylbenzene-1-sulfonyl chloride in the presence of Et(3)N in CH(2)Cl(2). The relative orientations of the benzene ring (A) o...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959401/ https://www.ncbi.nlm.nih.gov/pubmed/21201159 http://dx.doi.org/10.1107/S1600536808029309 |
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author | Akkurt, Mehmet Öztürk Yıldırım, Sema Bogdanov, Milen G. Kandinska, Meglena I. Büyükgüngör, Orhan |
author_facet | Akkurt, Mehmet Öztürk Yıldırım, Sema Bogdanov, Milen G. Kandinska, Meglena I. Büyükgüngör, Orhan |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | The title compound, C(29)H(27)NO(4)S(2), was synthesized by reaction of trans-rac-4-(hydroxymethyl)-2-phenethyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one and 4-methylbenzene-1-sulfonyl chloride in the presence of Et(3)N in CH(2)Cl(2). The relative orientations of the benzene ring (A) of the 3,4-dihydroisoquinolinone ring system, the thiophene ring (B), the benzene ring (C) of the methylbenzene group and the phenyl ring (D) result in the following dihedral angles: A/B = 80.91 (16), A/C = 22.79 (18), A/D = 9.9 (2), B/C = 80.73 (19), B/D = 88.9 (2) and C/D = 29.9 (2)°. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions. |
format | Text |
id | pubmed-2959401 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29594012010-12-30 trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate Akkurt, Mehmet Öztürk Yıldırım, Sema Bogdanov, Milen G. Kandinska, Meglena I. Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(29)H(27)NO(4)S(2), was synthesized by reaction of trans-rac-4-(hydroxymethyl)-2-phenethyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one and 4-methylbenzene-1-sulfonyl chloride in the presence of Et(3)N in CH(2)Cl(2). The relative orientations of the benzene ring (A) of the 3,4-dihydroisoquinolinone ring system, the thiophene ring (B), the benzene ring (C) of the methylbenzene group and the phenyl ring (D) result in the following dihedral angles: A/B = 80.91 (16), A/C = 22.79 (18), A/D = 9.9 (2), B/C = 80.73 (19), B/D = 88.9 (2) and C/D = 29.9 (2)°. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions. International Union of Crystallography 2008-09-17 /pmc/articles/PMC2959401/ /pubmed/21201159 http://dx.doi.org/10.1107/S1600536808029309 Text en © Akkurt et al. 2008 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 Öztürk Yıldırım, Sema Bogdanov, Milen G. Kandinska, Meglena I. Büyükgüngör, Orhan trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
title |
trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
title_full |
trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
title_fullStr |
trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
title_full_unstemmed |
trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
title_short |
trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
title_sort | trans-rac-[1-oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959401/ https://www.ncbi.nlm.nih.gov/pubmed/21201159 http://dx.doi.org/10.1107/S1600536808029309 |
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