3-{3,5-Bis[(2-but-oxy-eth-oxy)carbon-yl]-2,6-dimethyl-1,4-dihydro-pyridin-4-yl}-1-[(3,4,5-trimeth-oxy-benzo-yl)meth-yl]pyridinium bromide.
Acta Crystallogr Sect E Struct Rep Online
; 69(Pt 1): o58-9, 2013 Jan 01.
Article
in En
| MEDLINE
| ID: mdl-23476440
In the title salt, C37H51N2O10(+)·Br(-), the 1,4-dihydro-pyridine (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 0.068â
(5) and 0.224â
(5)â
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 89.2â
(3)°. The mol-ecule has a compact shape due to the parallel orientation of the long-chain substituents. One of the but-oxy 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.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Acta Crystallogr Sect E Struct Rep Online
Year:
2013
Document type:
Article
Affiliation country:
Latvia
Country of publication:
United States