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Coughlin, O. 
ORCID: 0000-0003-4528-9787, De Bruyn, N., Kilgour, D.P.A. ORCID: 0000-0002-3860-7532 and Benjamin, S.L. ORCID: 0000-0002-5038-1599,
2019.
Crystal structure and Hirshfeld surface analysis of diethyl (6-methyl-2-pyridyl)aminoethylenemalonate.
Journal of Chemical Crystallography.
ISSN 1074-1542
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Abstract
The title compound, diethyl (6-methyl-2-pyridyl)aminoethylenemalonate (1), crystallises in in the monoclinic space group P21/c (No.14). The unit cell parameters are a= 10.5657(7) Å, b= 9.1784(5) Å, c= 14.5681(7) Å, 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.
| Item Type: | Journal article | ||||||
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| Publication Title: | Journal of Chemical Crystallography | ||||||
| Creators: | Coughlin, O., De Bruyn, N., Kilgour, D.P.A. and Benjamin, S.L. | ||||||
| Publisher: | Springer New York | ||||||
| Date: | 23 May 2019 | ||||||
| ISSN: | 1074-1542 | ||||||
| Identifiers: |
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| Rights: | This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativeco mmons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. | ||||||
| Record created by: | Jonathan Gallacher | ||||||
| Date Added: | 19 Sep 2019 15:09 | ||||||
| Last Modified: | 19 Sep 2019 15:10 | ||||||
| URI: | https://irep.ntu.ac.uk/id/eprint/37702 |
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