1-Acetyl-3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-pyrazoline
نویسندگان
چکیده
منابع مشابه
1-Acetyl-3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-pyrazoline
In the title mol-ecule, C(17)H(14)ClFN(2)O, the mean plane of the pyrazoline ring makes dihedral angles of 18.19 (1) and 83.51 (4)° with the 4-chloro-benzene and 4-fluoro-benzene rings, respectively. The two benzene rings make a dihedral angle of 76.11 (2)°. Weak inter-molecular C-H⋯O hydrogen bonds help stabilize the crystal structure.
متن کاملSynthesis, IR spectra, crystal structure and DFT studies on 1-acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline.
1-Acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional (DFT) calculations have been carried out for the title compound by using the B3LYP method at the 6-311G** basis set level. The calculated results show that the predicted geometry can reproduce well the structural pa...
متن کاملBenzyl 5-ferrocenyl-3-(4-methylphenyl)-2-pyrazoline-1-dithiocarboxylate
In the title compound, [Fe(C(5)H(5))(C(23)H(21)N(2)S(2))], the cyclo-penta-dienyl rings of the ferrocenyl unit deviate slightly from the eclipsed form. In the pyrazoline ring, the N atom bonded to S-benzyl dithio-carbazate exhibits unconventional sp(2)-hybrid character in order to form an extended conjugated system. The pyrazoline ring displays an envelope conformation. The mol-ecules are linke...
متن کامل1-Acetyl-3-ferrocenyl-5-(2-nitrophenyl)-2-pyrazoline
In the title compound, [Fe(C(5)H(5))(C(16)H(14)N(3)O(3))], the pyrazoline ring and the substituted cyclo-penta-dienyl ring are nearly coplanar, with a dihedral angle of 8.17 (2)°, while the nitro-substituted benzene ring is twisted out of the pyrazoline ring plane by 70.76 (1)°. The mol-ecules in the crystal structure are held together by three inter-molecular C-H⋯O hydrogen bonds. There is als...
متن کامل1-Acetyl-5-ferrocenyl-3-phenyl-2-pyrazoline
In the title compound, [Fe(C(5)H(5))(C(16)H(15)N(2)O)], the pyrazoline ring and the phenyl ring are nearly coplanar, making a dihedral angle of 6.54 (2)°, while the substituted cyclo-penta-dienyl ring is twisted out of the pyrazoline ring plane by 81.32 (1)°. The mol-ecules in the crystal structure are held together by weak C-H⋯O inter-molecular hydrogen bonds and two C-H⋯π inter-actions.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2008
ISSN: 1600-5368
DOI: 10.1107/s1600536808018333