Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
| Autor: | Inese Mierina, Dmitrijs Stepanovs, Egija Stepina, Mara Jure |
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| Rok vydání: | 2015 |
| Předmět: |
crystal structure
Stereochemistry intramolecular hydrogen bonding Cyclohexane conformation Crystal structure Conjugated system Ring (chemistry) Research Communications Crystal chemistry.chemical_compound symbols.namesake General Materials Science Benzene intramolecular hydrogen bonding Crystallography arylidene Meldrum’s acid 5-arylmethylene-2 2-dimethyl-1 3-dioxan-4 6-dione General Chemistry organic synthesis Condensed Matter Physics arylidene Meldrum's acid 5-arylmethylene-2 2-dimethyl-1 3-dioxan-4 6-dione chemistry QD901-999 symbols Organic synthesis van der Waals force |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 10, Pp 1242-1244 (2015) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | The title compound, 5-[4-(diethylamino)phenylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, have been synthesized and its crystal structure determined. Due to the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C—H⋯O interactions, which associate the molecules in dimers. The title compound, C17H21NO4, consists of substituted Meldrum’s acid with a [4-(diethylamino)phenyl]methylidene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the molecule. This leads to the formation of C—H⋯O-type intramolecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C—H⋯O interactions, which associate the molecules into inversion dimers. |
| Databáze: | OpenAIRE |
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