(2Z)-3-(3-Bromoanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
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چکیده
In the title compound, C(20)H(18)BrN(3)O(2), the central carbonyl group forms amine-N-H⋯O and hy-droxy-O-H⋯O hydrogen bonds, which lead to two fused S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 5.22 (18)°], but the dihedral angle [33.87 (17)°] between the terminal phenyl and bromo-benzene rings indicates an overall twist in the mol-ecule. In the crystal packing, mol-ecules assemble into dimeric aggregates via C-H⋯π inter-actions.
منابع مشابه
(2Z)-3-(4-Fluoroanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
The central carbonyl group in the title compound, C(20)H(18)FN(3)O(2), forms amine-hy-droxy N-H⋯O and hy-droxy-hy-droxy O-H⋯O hydrogen bonds, leading to two S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 6.27 (10)°], but an overall twist in the mol-ecule is evident, the dihedral angle between the terminal phenyl and benzene ...
متن کامل(2Z)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(4-methylanilino)but-2-en-1-one
A twist is evident in the title compound, C(21)H(21)N(3)O(2), the dihedral angle between the terminal six-membered rings being 29.46 (10)°; the linked five- and six-membered rings are coplanar [1.30 (11)°]. The carbonyl O atom accepts intra-molecular hydrogen bonds from the adjacent hy-droxy and amine groups. The three-dimensional crystal packing is achieved through C-H⋯π inter-actions.
متن کاملCrystal structure of 4-[(2,4-dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80 (11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34 (12)° to its attached phenyl ring. In the crystal, N-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into chains along [010]. Inter-molecular π-π inter-actions are observed between the pyrazolone ring and the...
متن کامل(2Z)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(4-methoxyanilino)but-2-en-1-one
The central residue in the title compound, C(21)H(21)N(3)O(3), is close to planar (r.m.s. deviation = 0.0753 Å for all non-H atoms from OH to NH inclusive): the hy-droxy, amino and carbonyl groups all lie to the same side of the mol-ecule (the conformation about the ethene bond is Z), facilitating the formation of intra-molecular O-H⋯O and N-H⋯O hydrogen bonds that close S(6) rings. However, ov...
متن کاملTwo isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]benzoate.
In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate, C(17)H(14)N(4)O(4), the molecules are linked into complex sheets by a combination of N-H...N, N-H...O and C-H...O hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]benzoate, molecules exhibit a polarized molecular-electronic structure and are linked into chains of edge-fused rings by a combination of...
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