A novel ethyl 5-cyano-6-hydroxy-2-methyl-4-(1-naphthyl)-nicotinate is successfully synthesized and the structure is determined by XRD, GC-MS analysis, element analysis and NMR spectroscopic in detail. A reaction mechanism for the reaction is proposed.
Ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)nicotinate
✍ Scribed by Ren, Qing-Yun ;He, Hong-Wu ;Yao, Yong-Yan ;Gu, Yu-Cheng
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 472 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C~16~H~14~N~4~O~5~, the benzene ring of the nicotinate residue is inclined at an angle of 64.06 (10)° to the benzene ring of the nitrophenoxy group. The molecules are linked by two intermolecular C—H...O and N—H...N hydrogen bonds into a complex three-dimensional framework structure. C—H...π interactions also contribute to the stability of the crystal packing.
📜 SIMILAR VOLUMES
In the title compound, C 12 H 16 N 4 O 3 , all bond lengths and angles are within normal ranges. An O-HÁ Á ÁN and an N-HÁ Á ÁO intramolecular hydrogen bond contribute to the approximately planar molecular conformation. In the crystal structure, intermolecular N-HÁ Á ÁO and N-HÁ Á ÁN hydrogen bonds l
The title compound, C 18 H 18 N 2 O 5 , was synthesized from 2,3dimethoxyphenylmethylidenemalononitrile and ethyl acetoacetate in the presence of triethylbenzylammonium chloride in an aqueous medium. The pyridone and benzene rings make a dihedral angle of 63.8 (1) . There are intermolecular C-HÁ Á Á
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.045 wR factor = 0.095 Data-to-parameter ratio = 21.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.