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

被引:0
|
作者
Bisenieks, Imants [1 ]
Mishnev, Anatoly [1 ]
Bruvere, Manta [1 ]
Vigante, Brigita [1 ]
机构
[1] Latvian Inst Organ Synth, 21 Aizkraukles St, LV-1006 Riga, Latvia
关键词
D O I
10.1107/S1600536812049896
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title salt, C37H51N2O10+center dot 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) angstrom, 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)degrees. The molecule has a compact shape due to the parallel orientation of the longchain 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.
引用
收藏
页码:O58 / +
页数:12
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