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Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hy­droxy-3-meth­oxy-5-nitro­benzaldehyde

The title compound, C(8)H(7)NO(5), 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...

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Detalles Bibliográficos
Autores principales: Vusak, Vitomir, Vusak, Darko, Molcanov, Kresimir, Ernest, Mestrovic
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001823/
https://www.ncbi.nlm.nih.gov/pubmed/32071754
http://dx.doi.org/10.1107/S2056989020000225
Descripción
Sumario:The title compound, C(8)H(7)NO(5), 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.