Crystal Structure and Hirshfeld Surface Analysis of Diethyl (6-methyl-2-pyridyl)aminoethylenemalonate
| Autor: | Omar Coughlin, David P. A. Kilgour, Sophie L. Benjamin, Nathan de Bruyn |
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| Rok vydání: | 2019 |
| Předmět: |
Chemistry
Hydrogen bond Aryl Intermolecular force General Chemistry Crystal structure 010402 general chemistry 010403 inorganic & nuclear chemistry Condensed Matter Physics 01 natural sciences 0104 chemical sciences Bond length Crystallography chemistry.chemical_compound Intramolecular force Molecule Monoclinic crystal system |
| Zdroj: | Journal of Chemical Crystallography. 50:212-218 |
| ISSN: | 1572-8854 1074-1542 |
| Popis: | The title compound, diethyl (6-methyl-2-pyridyl)aminoethylenemalonate (1), crystallises in the monoclinic space group P21/c (No. 14). The unit cell parameters are a = 10.5657(7) A, b = 9.1784(5) A, c = 14.5681(7) A, β = 101.636(6)°, Z′ = 1 and Z = 4 at 150 K. The extended structure forms approximately orthogonal columns of stacked molecules. All bond lengths and angles are unremarkable. No disorder, twinning or co-crystallised solvent is present in the structure. An intramolecular hydrogen bond exists between the enamine nitrogen and carbonyl oxygen. Hirshfeld surface analysis reveals a short contact between a carbonyl oxygen and neighbouring aryl hydrogen, as well as a carbonyl–carbonyl interaction. The X-ray structure of diethyl (6-methyl-2-pyridyl)aminoethylenemalonate (1), an intermediate in the synthesis of ethyl nalidixate, is reported, and Hirshfeld surface analysis employed to identify intermolecular interactions within the structure. |
| Databáze: | OpenAIRE |
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