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Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
The title compound, C(23)H(18)FNO(4), crystallized as a racemate. It exhibits a cis conformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The methoxyphenyl ring and the phenyl ring are inclined to the mean plane of the isoquinoline ring...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458312/ https://www.ncbi.nlm.nih.gov/pubmed/28638647 http://dx.doi.org/10.1107/S2056989017007186 |
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| author | Lehmann, Anna Lechner, Lisa Radacki, Krzysztof Braunschweig, Holger Holzgrabe, Ulrike |
| author_facet | Lehmann, Anna Lechner, Lisa Radacki, Krzysztof Braunschweig, Holger Holzgrabe, Ulrike |
| author_sort | Lehmann, Anna |
| collection | PubMed |
| description | The title compound, C(23)H(18)FNO(4), crystallized as a racemate. It exhibits a cis conformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The methoxyphenyl ring and the phenyl ring are inclined to the mean plane of the isoquinoline ring system by 89.85 (4) and 46.62 (5)°, respectively, and by 78.15 (5)° to one another. In the crystal, molecules are linked by an O—H⋯O hydrogen bond forming chains propagating along the a-axis direction. The chains are linked by C—H⋯F hydrogen bonds, forming layers lying parallel to the ab plane. |
| format | Online Article Text |
| id | pubmed-5458312 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2017 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-54583122017-06-21 Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid Lehmann, Anna Lechner, Lisa Radacki, Krzysztof Braunschweig, Holger Holzgrabe, Ulrike Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(23)H(18)FNO(4), crystallized as a racemate. It exhibits a cis conformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The methoxyphenyl ring and the phenyl ring are inclined to the mean plane of the isoquinoline ring system by 89.85 (4) and 46.62 (5)°, respectively, and by 78.15 (5)° to one another. In the crystal, molecules are linked by an O—H⋯O hydrogen bond forming chains propagating along the a-axis direction. The chains are linked by C—H⋯F hydrogen bonds, forming layers lying parallel to the ab plane. International Union of Crystallography 2017-05-23 /pmc/articles/PMC5458312/ /pubmed/28638647 http://dx.doi.org/10.1107/S2056989017007186 Text en © Lehmann et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Lehmann, Anna Lechner, Lisa Radacki, Krzysztof Braunschweig, Holger Holzgrabe, Ulrike Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| title | Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| title_full | Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| title_fullStr | Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| title_full_unstemmed | Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| title_short | Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| title_sort | crystal structure of (3s*,4r*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458312/ https://www.ncbi.nlm.nih.gov/pubmed/28638647 http://dx.doi.org/10.1107/S2056989017007186 |
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