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Crystal structure of (4Z)-4-{[(2-chloro-phen-yl)amino](furan-2-yl)methyl-idene}-3-methyl-1-phenyl-4,5-di-hydro-1H-pyrazol-5-one.

ABSTRACT: 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 ?-? inter-actions [inter-centroid distances = 3.3902?(9) and 3.5956?(11)?Å], linking the chains to form sheets parallel to (10-1).

SUBMITTER: Zhang HQ

PROVIDER: S-EPMC4350689 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of (4Z)-4-{[(2-chloro-phen-yl)amino](furan-2-yl)methyl-idene}-3-methyl-1-phenyl-4,5-di-hydro-1H-pyrazol-5-one.

Zhang Heng-Qiang HQ Yang Xing X Wu Qiong Q Chen Hong-Li HL

Acta crystallographica. Section E, Crystallographic communications 20150213 Pt 3

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-a ...[more]

PMID: 25844235

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Crystal structure of (4Z)-1-(3,4-di-chloro-phen-yl)-4-[hy-droxy(4-methyl-phen-yl)methyl-idene]-3-methyl-4,5-di-hydro-1H-pyrazol-5-one.

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3,5-Bis[1-acetyl-5-(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-pyridine tetra-hydro-furan solvate.

Project description: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 (1) and 83.87 (1)°. Mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network.

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1-{3-(4-Methyl-phen-yl)-5-[5-(2-nitro-phen-yl)furan-2-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethanone.

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Project description:The title compound, C17H13ClO6, is an asymmetric alicyclic dianhydride containing a chloro-methyl-substituted tetra-hydro-naphthalene moiety. The cyclo-hexene ring in the tetra-hydro-naphthalene moiety exhibits an envelope conformation with the tertiary C atom as the flap The dihedral angle between the two anhydride rings is 79.96 (6)°, while those between the benzene ring and the non-fused and fused anhydride rings are 71.03 (5) and 42.57 (7)°, respectively. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional supramolecular structure.

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(4Z)-4-[(2,6-Diisopropyl-anilino)(phen-yl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

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(4Z)-4-[(4-Chloro-anilino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(23)H(18)ClN(3)O, was synthesized by the reaction of 4-chloro-aniline and 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one. The terminal benzene rings are twisted at dihedral angles of 48.3?(2), 71.4?(2) and 36.1?(2)° with respect to the central eight-atom methyl-pyrazolone/amino-methyl-ene unit. An intra-molecular N-H?O hydrogen bond stabilizes the planar conformation [mean deviation = 0.0398?(5)?Å] of the central unit, generating an S(6) ring motif. The crystal packing is stabilized by van der Waals forces.

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