Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hy-droxy-3-meth-oxy-5-nitro-benzaldehyde
| Autor: | Vitomir Vusak, Kresimir Molcanov, Darko Vušak, Mestrovic Ernest |
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| Rok vydání: | 2019 |
| Předmět: |
inorganic chemicals
Thermogravimetric analysis crystal structure Crystal structure Ring (chemistry) Research Communications Crystal Benzaldehyde chemistry.chemical_compound Hirshfeld surface analysis General Materials Science Thermal stability Quantitative Biology::Biomolecules Crystallography Chemistry Hydrogen bond General Chemistry Condensed Matter Physics hydrogen bonding humanities entacapone QD901-999 Nitro |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 2, Pp 239-244 (2020) |
| ISSN: | 2056-9890 |
| Popis: | The title molecule is planar with an r.m.s. deviation for all non-hydrogen atoms of 0.018 Å. An intramolecular O1—H1⋯O5 hydrogen bond involving the adjacent hydroxyl and nitro groups closes an S(6) ring motif. The title compound, C8H7NO5, is planar with an r.m.s. deviation for all non-hydrogen atoms of 0.018 Å. An intramolecular O—H⋯O hydrogen bond involving the adjacent hydroxy and nitro groups forms an S(6) ring motif. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by C—H⋯O hydrogen bonds, forming layers parallel to the bc plane. The layers are linked by a further C—H⋯O hydrogen bond, forming slabs, which are linked by C=O⋯π interactions, forming a three-dimensional supramolecular structure. Hirshfeld surface analysis was used to investigate intermolecular interactions in the solid state. The molecule was also characterized spectroscopically and its thermal stability investigated by differential scanning calorimetry and by thermogravimetric analysis. |
| Databáze: | OpenAIRE |
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