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.

ABSTRACT: 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 0.068?(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 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.

SUBMITTER: Bisenieks I 

PROVIDER: S-EPMC3588226 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature