The title compound was synthesized by the reaction of 3-benzoxybenzaldehyde with 2-hydroxybenzoylhydrazine in ethanol and characterized by IR,UV,1H NMR spectra and elemental analysis.The single crystal structure was d...The title compound was synthesized by the reaction of 3-benzoxybenzaldehyde with 2-hydroxybenzoylhydrazine in ethanol and characterized by IR,UV,1H NMR spectra and elemental analysis.The single crystal structure was determined by X-ray diffraction analysis.The crystal belongs to Monoclinic system,space group Cc with cell constant,a=0.48217（11） nm,b=3.2212（7） nm,c=1.0992（3） nm,β=101.755（5）.,V=1.6714（7） nm3,Z=4,μ=0.090mm-1,DC=1.321 g/cm3,F（000）=696.The crystal measurement showed that the molecule was not coplanar.The crystal structure involving in intermolecular and intermolecular hydrogen bonds was observed,and the intermolecular hydrogen bonds are linked along the c-axis direction to form a chain.The title molecule was calculated by quantum chemistry at the RHF/6-31G level,frontier orbitals electronic densities and charge distribution were discussed.展开更多
文摘The title compound was synthesized by the reaction of 3-benzoxybenzaldehyde with 2-hydroxybenzoylhydrazine in ethanol and characterized by IR,UV,1H NMR spectra and elemental analysis.The single crystal structure was determined by X-ray diffraction analysis.The crystal belongs to Monoclinic system,space group Cc with cell constant,a=0.48217（11） nm,b=3.2212（7） nm,c=1.0992（3） nm,β=101.755（5）.,V=1.6714（7） nm3,Z=4,μ=0.090mm-1,DC=1.321 g/cm3,F（000）=696.The crystal measurement showed that the molecule was not coplanar.The crystal structure involving in intermolecular and intermolecular hydrogen bonds was observed,and the intermolecular hydrogen bonds are linked along the c-axis direction to form a chain.The title molecule was calculated by quantum chemistry at the RHF/6-31G level,frontier orbitals electronic densities and charge distribution were discussed.
