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[(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate

The relative stereo- and regiochemistry of the racemic title compound, C(25)H(19)NO(7), were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring, respectively....

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Detalles Bibliográficos
Autores principales: Lough, Alan J., Ho, Angel, Tam, William
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462185/
https://www.ncbi.nlm.nih.gov/pubmed/36340838
http://dx.doi.org/10.1107/S2414314620002655
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author Lough, Alan J.
Ho, Angel
Tam, William
author_facet Lough, Alan J.
Ho, Angel
Tam, William
author_sort Lough, Alan J.
collection PubMed
description The relative stereo- and regiochemistry of the racemic title compound, C(25)H(19)NO(7), were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring, respectively. The dihedral angle between the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring is 76.4 (1)°. An intra­molecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds connect the mol­ecules, forming layers parallel to (100). Within these layers, there are weak π–π stacking inter­actions with a ring centroid–ring centroid distance of 3.555 (1) Å. [Image: see text]
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spelling pubmed-94621852022-11-04 [(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate Lough, Alan J. Ho, Angel Tam, William IUCrdata Data Reports The relative stereo- and regiochemistry of the racemic title compound, C(25)H(19)NO(7), were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring, respectively. The dihedral angle between the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring is 76.4 (1)°. An intra­molecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds connect the mol­ecules, forming layers parallel to (100). Within these layers, there are weak π–π stacking inter­actions with a ring centroid–ring centroid distance of 3.555 (1) Å. [Image: see text] International Union of Crystallography 2020-02-28 /pmc/articles/PMC9462185/ /pubmed/36340838 http://dx.doi.org/10.1107/S2414314620002655 Text en © Lough et al. 2020 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Data Reports
Lough, Alan J.
Ho, Angel
Tam, William
[(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
title [(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
title_full [(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
title_fullStr [(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
title_full_unstemmed [(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
title_short [(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
title_sort [(1r*,3s*,4s*)-3-(2-hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462185/
https://www.ncbi.nlm.nih.gov/pubmed/36340838
http://dx.doi.org/10.1107/S2414314620002655
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