Cargando…

(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...

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Huang, Chengmei, Yu, Haitao
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
_version_ 1782202989975437312
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
work_keys_str_mv AT funhoongkun 1s4s5r1isopropyl5methoxy23dimethyl46dioxa2azaspirobicyclo320hept2ene74isoquinoline132h4hdione
AT quahchingkheng 1s4s5r1isopropyl5methoxy23dimethyl46dioxa2azaspirobicyclo320hept2ene74isoquinoline132h4hdione
AT huangchengmei 1s4s5r1isopropyl5methoxy23dimethyl46dioxa2azaspirobicyclo320hept2ene74isoquinoline132h4hdione
AT yuhaitao 1s4s5r1isopropyl5methoxy23dimethyl46dioxa2azaspirobicyclo320hept2ene74isoquinoline132h4hdione