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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...

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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
Descripción
Sumario: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.