1-Acetyl-3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-pyrazoline
نویسندگان
چکیده
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.
منابع مشابه
3,5-Bis[1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethylpyridine tetrahydrofuran solvate
In the title compound, C(29)H(27)Cl(2)N(5)O(2)·C(4)H(8)O, the polycyclic system is composed of three parts: one central pyridine ring substituted by two functionalized pyrazoline rings. The dihedral angles between the central pyridine plane and pyrazoline planes are 5.11 (1) and 13.99 (1)°, whereas the dihedral angles between each chloro-phenyl plane and the attached pyrazoline planes are 88.65...
متن کامل3,5-Bis[1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethylpyridine
The title compound, C(29)H(27)Cl(2)N(5)O(2), contains a central pyridine ring and two functionalized pyrazoline rings. The pyridine ring and the two attached pyrazoline rings are nearly coplanar, whereas the terminal chloro-phenyl rings are nearly perpendicular to the attached pyrazoline rings [dihedral angles = 86.78 (1) and 77.70 (1)°]. Mol-ecules are linked by weak inter-molecular C-H⋯O hydr...
متن کامل1-[3-(2,4-Dichloro-5-fluorophenyl)-5-(3-methyl-2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
In the title mol-ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio-phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio-phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attac...
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 کامل3-(4-Chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the title pyrazoline derivative, C(14)H(12)ClN(3)S(2), the thiophene ring is disordered over two orientations with a refined site-occupancy ratio of 0.832 (4):0.168 (4). The pyrazoline ring adopts an envelope conformation with the C atom linking the thiophene ring at the flap. The dihedral angles between the benzene ring and the major and minor components of the thiophene ring are 88.6 (3) a...
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