N-1-acetylacetamidrazones and N-1-benzoylacetamidrazones (1a-d) were characterized by H-1 and C-13 NMR spectroscopy. The actual tautomeric form present has been shown to be the amide hydrazone. NMR spectra of N-1-acetylacetamidrazones (1a,b) showed the existence of Z and E isomers in solution, while N-1-benzoylacetamidrazones (1c,d) were present as Z isomers. The crystal structures of the amidrazones have been determined at 173 and 293 K, respectively. The amidrazones 1c and 1d crystallize in the monoclinic system: in particular for le space group P2(1)/c, with a = 11.016(5), b = 20.594(14), c = 13.657(7) Angstrom; beta = 98.29(3)degrees; V = 3066(3) Angstrom(3) and D-c = 1.243 g/cm(3) for Z = 4; for Id space group P2(1)/a, with a = 9.410(5), b = 10.449(3), c = 14.295(l 1) Angstrom; beta = 101.04(5)degrees; V = 1380(l) Angstrom(3) and D-c = 1.220 g/cm(3) for Z = 4. The X-ray diffraction analysis carried out on 1c has shown the presence of three molecules in the asymmetric unit which differ for the orientation of the phenyl ring.
Crystal and molecular structure of acetamidrazone derivatives
ONNIS, VALENTINA
2002-01-01
Abstract
N-1-acetylacetamidrazones and N-1-benzoylacetamidrazones (1a-d) were characterized by H-1 and C-13 NMR spectroscopy. The actual tautomeric form present has been shown to be the amide hydrazone. NMR spectra of N-1-acetylacetamidrazones (1a,b) showed the existence of Z and E isomers in solution, while N-1-benzoylacetamidrazones (1c,d) were present as Z isomers. The crystal structures of the amidrazones have been determined at 173 and 293 K, respectively. The amidrazones 1c and 1d crystallize in the monoclinic system: in particular for le space group P2(1)/c, with a = 11.016(5), b = 20.594(14), c = 13.657(7) Angstrom; beta = 98.29(3)degrees; V = 3066(3) Angstrom(3) and D-c = 1.243 g/cm(3) for Z = 4; for Id space group P2(1)/a, with a = 9.410(5), b = 10.449(3), c = 14.295(l 1) Angstrom; beta = 101.04(5)degrees; V = 1380(l) Angstrom(3) and D-c = 1.220 g/cm(3) for Z = 4. The X-ray diffraction analysis carried out on 1c has shown the presence of three molecules in the asymmetric unit which differ for the orientation of the phenyl ring.File | Dimensione | Formato | |
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