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3-Methyl-1-phenyl-4-[(Z)-phen-yl(4-acetamido-anilino)methyl-idene]-1H-pyrazol-5(4H)-one.

ABSTRACT: In the title compound, C(25)H(22)N(4)O(2), the dihedral angles between the central pyrazole ring and the phenyl and benzene rings are 37.01 (3), 75.58 (7) and 49.67 (8)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) motif. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into a zigzag chain extended along the b axis.

SUBMITTER: Zhi LH

PROVIDER: S-EPMC3393943 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:The mol-ecule of the title compound, C(23)H(20)N(4)O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 10.33?(11), 65.34?(11) and 63.52?(10)° with the three benzene rings. In the crystal, the mol-ecules are linked by inter-molecular N-H?N hydrogen bonds, generating chains parallel to the b axis. The secondary amino group is involved in an intra-molecular N-H?O hydrogen bond.

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

Project description:The title compound, C(23)H(18)ClN(3)O, exists in an enamine-keto form with the amino group involved in an intra-molecular N-H?O hydrogen bond. The five-membered ring is nearly planar, the largest deviation being 0.0004?(7)?Å, and makes dihedral angles of 16.62?(6), 41.89?(5) and 71.27?(4)° with the phenyl rings. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into supra-molecular chains along the b axis.

| S-EPMC3379412 | biostudies-literature

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

Project description:In the title compound, C(29)H(31)N(3)O, the three terminal benzene rings are oriented at dihedral angles of 20.7?(3), 65.8?(3) and 72.6?(3)° with respect to the central pyrazolone ring. Intra-molecular N-H?O hydrogen bonding occurs between the imine and carbonyl groups. Inter-molecular C-H?? inter-actions are present in the crystal structure.

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(Z)-3-Methyl-4-[1-(4-methyl-anilino)propyl-idene]-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title mol-ecule, C20H21N3O, the central pyrazole ring forms dihedral angles of 4.75?(9) and 49.11?(9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76?(8)°. The amino group and carbonyl O atom are involved in an intra-molecular N-H?O hydrogen bond. In the crystal, ?-? inter-actions are observed between benzene rings [centroid-centroid seperation = 3.892?(2)?Å] and pyrazole rings [centroid-centroid seperation = 3.626?(2)?Å], forming chains along [111]. The H atoms of the methyl group on the p-tolyl substituent were refined as disordered over two sets of sites in a 0.60?(4):0.40?(4) ratio.

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(Z)-4-[(2-Amino-4,5-dichloro-anilino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The mol-ecule of the title compound, C(23)H(18)Cl(2)N(4)O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 32.61?(19), 76.73?(14) and 52.57?(19)° with the three benzene rings. The secondary amino group is involved in an intra-molecular N-H?O hydrogen bond. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers. An offset stacking inter-action is observed between the chloro-substituted benzene rings protruding on both sides of these dimers [centroid-centroid distance = 3.862?(1)?Å].

| S-EPMC3515247 | biostudies-literature

(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.

| S-EPMC2980146 | biostudies-literature

4-[(Z)-(n-Butyl-amino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(21)H(23)N(3)O, exists in an enamine-keto form with the amino group involved in an intra-molecular N-H⋯O hydrogen bond. The dihedral angle between the phenyl rings is 73.59 (6)°. The five-membered ring is nearly planar, the largest deviation being 0.0004 (7) Å, and makes dihedral angles of 4.81 (6) and 69.81 (5)° wth the phenyl rings. In the crystal, pairs of weak C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers.

| S-EPMC3343944 | biostudies-literature

4-[(3-Hy-droxy-anil-ino)-(phenyl)-methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(23)H(19)N(3)O(2), the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91?(6), 60.96?(4) and 57.01?(4)°. The ligand is in the enamine-keto form and its structure is stabilized by an intra-molecular N-H?O hydrogen bond. In the crystal, O-H?N hydrogen bonds link mol-ecules into chains parallel to [01-1].

| S-EPMC3379466 | biostudies-literature

4-[2-(4-Chloro-phen-yl)hydrazinyl-idene]-3-methyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(10)H(9)ClN(4)O, the pyrazole ring [maximum deviation = 0.014?(2)?Å] forms a dihedral angle of 7.06?(14)° with the chloro-benzene ring. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(16) ring motifs. The dimers are further connected by N-H?N hydrogen bonds, thereby forming layers lying parallel to the bc plane.

| S-EPMC3201479 | biostudies-literature

1-(4-Fluoro-phen-yl)-3-methyl-4-phenyl-sulfanyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(16)H(13)FN(2)OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198?(11)?Å] is inclined at angles of 33.10?(5) and 79.57?(5)° with respect to the fluoro-phenyl [maximum deviation = 0.0090?(12)?Å] and phenyl-thiol [maximum deviation = 0.0229?(3)?Å] rings attached to it. In the crystal, neighbouring mol-ecules are linked into inversion dimers, generating R(2) (2)(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via inter-molecular N-H?O, C-H?F and C-H?O hydrogen bonds. The crystal is further stabilized by weak ?-? [centroid-centroid distance = 3.6921?(7)?Å] and C-H?? inter-actions.

| S-EPMC3009262 | biostudies-literature

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