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(1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione
In the isoquinoline ring system of the title molecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-azaspiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The molecula...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089152/ https://www.ncbi.nlm.nih.gov/pubmed/21754556 http://dx.doi.org/10.1107/S1600536811015315 |
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author | Fun, Hoong-Kun Quah, Ching Kheng Huang, Chengmei Yu, Haitao |
author_facet | Fun, Hoong-Kun Quah, Ching Kheng Huang, Chengmei Yu, Haitao |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the isoquinoline ring system of the title molecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-azaspiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The molecular structure is stabilized by a weak intramolecular C—H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, molecules are linked via weak intermolecular C—H⋯O hydrogen bonds into a three-dimensional supramolecular network. Additional stabilization is provided by π–π stacking interactions between symmetry-related benzene rings with a centroid–centroid distance of 3.6507 (5) Å. |
format | Text |
id | pubmed-3089152 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30891522011-07-13 (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione Fun, Hoong-Kun Quah, Ching Kheng Huang, Chengmei Yu, Haitao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the isoquinoline ring system of the title molecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-azaspiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The molecular structure is stabilized by a weak intramolecular C—H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, molecules are linked via weak intermolecular C—H⋯O hydrogen bonds into a three-dimensional supramolecular network. Additional stabilization is provided by π–π stacking interactions between symmetry-related benzene rings with a centroid–centroid distance of 3.6507 (5) Å. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089152/ /pubmed/21754556 http://dx.doi.org/10.1107/S1600536811015315 Text en © Fun et al. 2011 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 Fun, Hoong-Kun Quah, Ching Kheng Huang, Chengmei Yu, Haitao (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione |
title | (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione |
title_full | (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione |
title_fullStr | (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione |
title_full_unstemmed | (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione |
title_short | (1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione |
title_sort | (1s*,4′s*,5r*)-1-isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′h,4′h)-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089152/ https://www.ncbi.nlm.nih.gov/pubmed/21754556 http://dx.doi.org/10.1107/S1600536811015315 |
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