(R*)-(−)-3-[4-(Benzyloxy)benzoylmethyl] 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
✍ Scribed by Wu, Xiao-Yun ;Hu, Ai-Xi ;Cao, Gao
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 587 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
In the optically active title compound, C 32 H 30 N 2 O 8 , the substituted 1,4-dihydropyridine ring adopts a flattened boat conformation. The crystal structure is stabilized by intermolecular N-HÁ Á ÁO hydrogen bonding.
Data collection
Bruker SMART 1000 CCD diffractometer Absorption correction: none 5566 measured reflections 2808 independent reflections 1747 reflections with I > 2(I)
1.02 2808 reflections 382 parameters 3 restraints H-atom parameters constrained Á max = 0.21 e A ˚À3 Á min = À0.21 e A ˚À3
Table 1
Hydrogen-bond geometry (A ˚, ).
📜 SIMILAR VOLUMES
The title compound, C 27 H 28 N 2 O 7 , has been synthesized by the reaction of 2-methoxyethyl 2-(3-nitrobenzylidene)acetoacetate with cinnamyl 3-aminocrotonate and crystallized from methanol. The substituted 1,4-dihydropyridine ring adopts a flattened boat conformation. The 3-nitrophenyl ring is ap
Single-crystal X-ray study T = 113 K Mean (C-C) = 0.002 A Disorder in solvent or counterion R factor = 0.044 wR factor = 0.120 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The dihydropyridine ring has a flattened boat conformation. Molecules are linked by N-HÁ Á ÁN hydrogen bonds.