313503-00-3Relevant academic research and scientific papers
Modeling the intermolecular interactions: Molecular structure of N-3-hydroxyphenyl-4-methoxybenzamide
Karabulut, Sedat,Namli, Hilmi,Kurtaran, Raif,Yildirim, Leyla Tatar,Leszczynski, Jerzy
, p. 1 - 8 (2014)
The title compound, N-3-hydroxyphenyl-4-methoxybenzamide (3) was prepared by the acylation reaction of 3-aminophenol (1) and 4-metoxybenzoylchloride (2) in THF and characterized by 1H NMR, 13C NMR and elemental analysis. Molecular structure of the crystal was determined by single crystal X-ray diffraction and DFT calculations. 3 crystallizes in monoclinic P2 1/c space group. The influence of intermolecular interactions (dimerization and crystal packing) on molecular geometry has been evaluated by calculations performed for three different models; monomer (3), dimer (4) and dimer with added unit cell contacts (5). Molecular structure of 3, 4 and 5 was optimized by applying B3LYP method with 6-31G+(d,p) basis set in gas phase and compared with X-ray crystallographic data including bond lengths, bond angles and selected dihedral angles. It has been concluded that although the crystal packing and dimerization have a minor effect on bond lengths and angles, however, these interactions are important for the dihedral angles and the rotational conformation of aromatic rings.
Novel 3/4-((Substitutedbenzamidophenoxy)methyl)-N-hydroxybenzamides/propenamides and its use
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Paragraph 0101; 0103; 0104, (2020/03/17)
The present invention relates to novel 3/4-((substituted benzamidophenoxy) methyl) -N-hydroxy benzamide/propenamide, as a histone deacetylase (HDAC) inhibitor, and to an anticancer composition comprising the same as an active ingredient. More specifically
