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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.
Bisenieks, Imants; Mishnev, Anatoly; Bruvere, Imanta; Vigante, Brigita.
Affiliation
  • Bisenieks I; Latvian Institute of Organic Synthesis, 21 Aizkraukles Street, Riga LV-1006, Latvia.
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 0.068 (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.

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

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