Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hydroxy-3- methoxy-5-nitrobenzaldehyde (CROSBI ID 275592)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Vušak, Vitomir ; Vušak, Darko ; Molčanov, Krešimir ; Meštrović, Ernest
engleski
Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hydroxy-3- methoxy-5-nitrobenzaldehyde
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, mol ecules 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 inter molecular interactions in the solid state. The molecule was also characterized spectroscopically and its thermal stability investigated by differential scanning calorimetry and by thermogravimetric analysis.
crystal structure ; entacapone ; hydrogen bonding ; Hirshfeld surface analysis
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Podaci o izdanju
76 (2)
2020.
239-244
objavljeno
2056-9890
10.1107/S2056989020000225
Trošak objave rada u otvorenom pristupu
Povezanost rada
Kemija