Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate

In the title compound, C(15)H(18)N(2)O(5), the meth­oxy­phenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetra­hydro­pyrimidin-2(1H)-one ring. Both the pyran and tetra­hydro­pyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxyl­ate-substituted...

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Autores principales: Dhandapani, A., Manivarman, S., Subashchandrabose, S., Gunasekaran, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384574/
https://www.ncbi.nlm.nih.gov/pubmed/25878860
http://dx.doi.org/10.1107/S2056989015000559
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author Dhandapani, A.
Manivarman, S.
Subashchandrabose, S.
Gunasekaran, B.
author_facet Dhandapani, A.
Manivarman, S.
Subashchandrabose, S.
Gunasekaran, B.
author_sort Dhandapani, A.
collection PubMed
description In the title compound, C(15)H(18)N(2)O(5), the meth­oxy­phenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetra­hydro­pyrimidin-2(1H)-one ring. Both the pyran and tetra­hydro­pyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxyl­ate-substituted C atom as the flap. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming zigzag chains propagating along [010], which enclose R (2) (2)(8) ring motifs. The chains are linked by C—H⋯π inter­actions, forming a two-dimensional network parallel to (100).
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spelling pubmed-43845742015-04-15 Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate Dhandapani, A. Manivarman, S. Subashchandrabose, S. Gunasekaran, B. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(15)H(18)N(2)O(5), the meth­oxy­phenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetra­hydro­pyrimidin-2(1H)-one ring. Both the pyran and tetra­hydro­pyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxyl­ate-substituted C atom as the flap. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming zigzag chains propagating along [010], which enclose R (2) (2)(8) ring motifs. The chains are linked by C—H⋯π inter­actions, forming a two-dimensional network parallel to (100). International Union of Crystallography 2015-01-17 /pmc/articles/PMC4384574/ /pubmed/25878860 http://dx.doi.org/10.1107/S2056989015000559 Text en © Dhandapani et al. 2015 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 Data Reports
Dhandapani, A.
Manivarman, S.
Subashchandrabose, S.
Gunasekaran, B.
Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
title Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
title_full Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
title_fullStr Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
title_short Crystal structure of ethyl (2S)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2H- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
title_sort crystal structure of ethyl (2s)-9-meth­oxy-2-methyl-4-oxo-3,4,5,6-tetra­hydro-2h- 2,6-methano­benzo[g][1,3,5]oxa­diazocine-11-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384574/
https://www.ncbi.nlm.nih.gov/pubmed/25878860
http://dx.doi.org/10.1107/S2056989015000559
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