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Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate

In the title compound, C(30)H(28)N(2)O(6), the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl­ate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of...

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Autores principales: Vinayagam, V., Bakthadoss, M., Murugavel, S., Manikandan, N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186142/
https://www.ncbi.nlm.nih.gov/pubmed/25309159
http://dx.doi.org/10.1107/S1600536814017929
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author Vinayagam, V.
Bakthadoss, M.
Murugavel, S.
Manikandan, N.
author_facet Vinayagam, V.
Bakthadoss, M.
Murugavel, S.
Manikandan, N.
author_sort Vinayagam, V.
collection PubMed
description In the title compound, C(30)H(28)N(2)O(6), the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl­ate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of 13.2 (1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4 (1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7 (1)°. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, C—H⋯O inter­actions generate supra­molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak π–π inter­actions between pyrazole rings [centroid–centroid distance = 3.801 (1) Å].
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spelling pubmed-41861422014-10-12 Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate Vinayagam, V. Bakthadoss, M. Murugavel, S. Manikandan, N. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title compound, C(30)H(28)N(2)O(6), the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl­ate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of 13.2 (1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4 (1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7 (1)°. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, C—H⋯O inter­actions generate supra­molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak π–π inter­actions between pyrazole rings [centroid–centroid distance = 3.801 (1) Å]. International Union of Crystallography 2014-08-09 /pmc/articles/PMC4186142/ /pubmed/25309159 http://dx.doi.org/10.1107/S1600536814017929 Text en © Vinayagam et al. 2014 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 Research Communications
Vinayagam, V.
Bakthadoss, M.
Murugavel, S.
Manikandan, N.
Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
title Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
title_full Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
title_fullStr Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
title_full_unstemmed Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
title_short Crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
title_sort crystal structure of methyl 6-meth­oxy-11-(4-meth­oxy­phen­yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di­aza­tetra­cyclo­[8.7.0.0(2,7).0(13,17)]hepta­deca-2(7),3,5,13(17),15-penta­ene-10-carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186142/
https://www.ncbi.nlm.nih.gov/pubmed/25309159
http://dx.doi.org/10.1107/S1600536814017929
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