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4-[(E)-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

ABSTRACT: In the title compound, C(22)H(26)N(4)O(2), the phenyl ring and hy-droxy-benzene group are twisted with respect to the central pyrazolone ring, making dihedral angles of 54.05?(5) and 21.80?(6)°, respectively. One of the ethyl groups is disordered over two positions with site occupancies of 0.872?(6) and 0.128?(6). The mol-ecular structure features short intra-molecular O-H?N and C-H?O contacts. The crystal packing exhibits weak inter-molecular C-H?O and C-H?? inter-actions.

SUBMITTER: Manvizhi K

PROVIDER: S-EPMC3201426 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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4-[(E)-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Manvizhi K K Chakkaravarthi G G Anbalagan G G Rajagopal G G

Acta crystallographica. Section E, Structure reports online 20110920 Pt 10

In the title compound, C(22)H(26)N(4)O(2), the phenyl ring and hy-droxy-benzene group are twisted with respect to the central pyrazolone ring, making dihedral angles of 54.05 (5) and 21.80 (6)°, respectively. One of the ethyl groups is disordered over two positions with site occupancies of 0.872 (6) and 0.128 (6). The mol-ecular structure features short intra-molecular O-H⋯N and C-H⋯O contacts. The crystal packing exhibits weak inter-molecular C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 22064620

Similar Datasets

Crystal structure of 4-[(E)-(4-hy-droxy-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The asymmetric unit of the title compound, C18H17N3O2, comprises three independent mol-ecules (1, 2 and 3). In mol-ecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for mol-ecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for mol-ecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three mol-ecules feature an intra-molecular C-H⋯O inter-action, which closes an S(6) ring in each case. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, which generate [100] chains incorporating all three asymmetric mol-ecules. Two weak C-H⋯O interactions connect three independent molecules to each other along the c-axis direction.

| S-EPMC4719916 | biostudies-literature

4-[(4-Benzyl-oxybenzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title mol-ecule, C(25)H(23)N(3)O(2), two terminal phenyl rings are twisted by 50.20 (6) and 71.26 (5)° from the mean plane (r.m.s. deviation = 0.032 Å) of the central benzyl-idene-amino-pyrazolone fragment. The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 353.5 (2) and 347.3 (2)°. The crystal structure is stabilized by C-H⋯O interactions.

| S-EPMC3344463 | biostudies-literature

N'-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)-4-(dimethyl-amino)-benzo-hydrazide methanol monosolvate.

Project description:The title compound, C(20)H(26)N(4)O(2)·CH(3)OH, was prepared by the reaction of 4-diethyl-amino-2-hy-droxy-benzaldehyde with 4-(dimethyl-amino)-benzohydrazide. The dihedral angle between the two benzene rings is 13.6 (3)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, the hydrazone and methanol mol-ecules are linked through inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, forming chains along a.

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4-[(E)-(4-Hy-droxy-2-oxo-2H-chromen-3-yl)methyl-idene-amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate.

Project description:In the title compound, C(21)H(17)N(3)O(4)·H(2)O, the coumarin ring system is almost planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 1.50 (7) and 57.75 (7)° with the pyrazole and phenyl rings, respectively. The dihedral angle between the pyrazole and phenyl rings is 56.60 (9)°. The pyrazole ring adopts a twisted comformation. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds, both of which form S(6) ring motifs. In the crystal, each water mol-ecule is linked to its adjacent organic mol-ecule via pairs of O-H⋯O hydrogen bonds. The packing is further consolidated by pairs of inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into dimers; the dimers are stacked along the b axis.

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(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzonitrile.

Project description:The title compound, C(18)H(19)N(3)O, displays an E conformation with respect to the C=N double bond. The dihedral angle between the mean planes of the two benzene rings is 24.49 (3)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by nonclassical inter-molecular C-H⋯O hydrogen bonds to form an infinite one-dimensional chain along [010], generating a C(8) motif.

| S-EPMC3297948 | biostudies-literature

4-[(E)-(2,4,5-Trimeth-oxy-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The title compound, C(21)H(23)N(3)O(4), adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1) Å. The central pyrazolone ring makes dihedral angles of 51.96 (5) and 3.82 (5)° with the attached phenyl and the trimeth-oxy-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the trimeth-oxy-substituted benzene ring is 50.19 (5)° and an intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.

| S-EPMC3006971 | biostudies-literature

2-[(E)-4-Diethyl-amino-2-hy-droxy-benzyl-idene]hydrazinecarboxamide.

Project description:Two mol-ecules make up the asymmetric unit of the title compound, C(12)H(18)N(4)O(2), and both feature an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring. The diethyl-amino group of one of the mol-ecules is disordered over two sets of sites in a 0.59?(2):0.41?(2) ratio. In the crystal, N-H?O hydrogen bonds link the mol-ecules into sheets lying parallel to the ac plane and C-H?? inter-actions are also observed.

| S-EPMC3275058 | biostudies-literature

(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(18)H(20)N(2)O(3), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined at an angle of 12.25 (19)°. The mol-ecule has an E conformation about the C=N bond. One of the ethyl groups is disordered over two positions, with a refined site-occupancy ratio of 0.55 (1):0.45 (1). An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs.

| S-EPMC3343998 | biostudies-literature

4-[(1-Hy-droxy-2-naphth-yl)methyl-ene-amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The title anti-pyrine derivative, C(22)H(19)N(3)O(2), was synthesized by the reaction of 4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one and 1-hy-droxy-naphthalene-2-carbaldehyde in methanol solution. As expected, the compound adopts a trans configuration about the central C=N bond. The N atom is involved in an intra-molecular O-H?N bond which stabilizes the mol-ecular configuration. In the crystal structure, adjacent mol-ecules stack with no short contacts.

| S-EPMC3007374 | biostudies-literature

N'-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)-4-methyl-benzohydrazide.

Project description:The title compound, C(19)H(23)N(3)O(2), was prepared by condensing 4-diethyl-amino-2-hy-droxy-benzaldehyde and 4-methyl-benzo-hydrazide in methanol. The asymmetric unit contains two independent mol-ecules in which the two benzene rings make dihedral angles of 30.3?(3) and 18.9?(3)°. Intra-molecular O-H?N hydrogen bonds are observed in both mol-ecules. The crystal structure is stabilized by N-H?O hydrogen bonds, which form chains along the a axis.

| S-EPMC3344033 | biostudies-literature

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