Cargando…

3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide

In the title salt, C(37)H(51)N(2)O(10) (+)·Br(−), the 1,4-dihydro­pyridine (1,4-DHP) ring adopts a slighly puckered boat conformation. The N and opposite C atoms deviate from the least-squares plane calculated through the four other ring atoms by 0.068 (5) and 0.224 (5) Å, respectively. The orientat...

Descripción completa

Detalles Bibliográficos
Autores principales: Bisenieks, Imants, Mishnev, Anatoly, Bruvere, Imanta, Vigante, Brigita
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588226/
https://www.ncbi.nlm.nih.gov/pubmed/23476440
http://dx.doi.org/10.1107/S1600536812049896
_version_ 1782261517222150144
author Bisenieks, Imants
Mishnev, Anatoly
Bruvere, Imanta
Vigante, Brigita
author_facet Bisenieks, Imants
Mishnev, Anatoly
Bruvere, Imanta
Vigante, Brigita
author_sort Bisenieks, Imants
collection PubMed
description In the title salt, C(37)H(51)N(2)O(10) (+)·Br(−), the 1,4-dihydro­pyridine (1,4-DHP) ring adopts a slighly puckered boat conformation. The N and opposite C atoms deviate from the least-squares plane calculated through the four other ring atoms by 0.068 (5) and 0.224 (5) Å, respectively. The orientation of both C=O groups is similar (cis with respect to the double bonds of 1,4-DHP. The pyridinium ring has an axial orientation with respect to the1,4-DHP ring and is almost perpendicular to the least-squares plane of the 1,4-DHP ring, making a dihedral angle of 89.2 (3)°. The mol­ecule has a compact shape due to the parallel orientation of the long-chain substituents. One of the but­oxy groups was fond to be disordered (occupancy ratio 0.70:0.30). In the crystal, the bromide anion accepts a weak hydrogen bond from the N—H group of a neighboring 1,4-DHP ring.
format Online
Article
Text
id pubmed-3588226
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-35882262013-03-08 3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide Bisenieks, Imants Mishnev, Anatoly Bruvere, Imanta Vigante, Brigita Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(37)H(51)N(2)O(10) (+)·Br(−), the 1,4-dihydro­pyridine (1,4-DHP) ring adopts a slighly puckered boat conformation. The N and opposite C atoms deviate from the least-squares plane calculated through the four other ring atoms by 0.068 (5) and 0.224 (5) Å, respectively. The orientation of both C=O groups is similar (cis with respect to the double bonds of 1,4-DHP. The pyridinium ring has an axial orientation with respect to the1,4-DHP ring and is almost perpendicular to the least-squares plane of the 1,4-DHP ring, making a dihedral angle of 89.2 (3)°. The mol­ecule has a compact shape due to the parallel orientation of the long-chain substituents. One of the but­oxy groups was fond to be disordered (occupancy ratio 0.70:0.30). In the crystal, the bromide anion accepts a weak hydrogen bond from the N—H group of a neighboring 1,4-DHP ring. International Union of Crystallography 2012-12-08 /pmc/articles/PMC3588226/ /pubmed/23476440 http://dx.doi.org/10.1107/S1600536812049896 Text en © Bisenieks et al. 2013 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
Bisenieks, Imants
Mishnev, Anatoly
Bruvere, Imanta
Vigante, Brigita
3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
title 3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
title_full 3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
title_fullStr 3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
title_full_unstemmed 3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
title_short 3-{3,5-Bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
title_sort 3-{3,5-bis[(2-but­oxy­eth­oxy)carbon­yl]-2,6-dimethyl-1,4-dihydro­pyridin-4-yl}-1-[(3,4,5-trimeth­oxy­benzo­yl)meth­yl]pyridinium bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588226/
https://www.ncbi.nlm.nih.gov/pubmed/23476440
http://dx.doi.org/10.1107/S1600536812049896
work_keys_str_mv AT bisenieksimants 335bis2butoxyethoxycarbonyl26dimethyl14dihydropyridin4yl1345trimethoxybenzoylmethylpyridiniumbromide
AT mishnevanatoly 335bis2butoxyethoxycarbonyl26dimethyl14dihydropyridin4yl1345trimethoxybenzoylmethylpyridiniumbromide
AT bruvereimanta 335bis2butoxyethoxycarbonyl26dimethyl14dihydropyridin4yl1345trimethoxybenzoylmethylpyridiniumbromide
AT vigantebrigita 335bis2butoxyethoxycarbonyl26dimethyl14dihydropyridin4yl1345trimethoxybenzoylmethylpyridiniumbromide