Crystal structure of (4Z)-4-{[(2-chlorophenyl)amino](furan-2-yl)methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
نویسندگان
چکیده
In the title compound, C21H16ClN3O2, the pyrazolone ring and the O=C-C=C-N mean plane [maximum deviation = 0.022 (2) Å] are nearly coplanar, making a dihedral angle 4.56 (8)°, while the phenyl and pyrazole rings subtend a dihedral angle of 19.75 (8)°. The compound is in the enamine-keto form and its structure is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal, mol-ecules are linked via C-H⋯N hydrogen bonds, forming chains along [010]. Between the chains there are π-π inter-actions [inter-centroid distances = 3.3902 (9) and 3.5956 (11) Å], linking the chains to form sheets parallel to (10-1).
منابع مشابه
Crystal structures of (5RS)-(Z)-4-[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5RS)-(Z)-4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid
The title compounds, C17H14N2O4 (I) and C15H12N2O4S (II), possess very similar mol-ecular geometries. In both mol-ecules, the central 1,3,5-tris-ubstituted di-hydro-pyrazole ring adopts an envelope conformation. The oxobutenoic acid fragment has an almost planar Z conformation [r.m.s. deviations of 0.049 and 0.022 Å, respectively, for (I) and (II)] which is determined by the both bond conjugati...
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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...
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In the crystal of the title compound, C(17)H(17)N(3)O(2), the mol-ecules exist in the keto-enamine form. The pyrazole ring is oriented at 10.59 (4) and 57.98 (5)° to the phenyl and furyl rings, respectively, and the dihedral angle between phenyl and furyl rings is 73.30 (11)°. An intra-molecular N-H⋯O hydrogen bond occurs between imino and carbonyl groups. In the crystal, weak C-H⋯O hydrogen bo...
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