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1,5-Dimethyl-2-phenyl-4-{[(E)-3,4,5-trimethoxybenzylidene]amino}-1H-pyrazol-3(2H)-one.

ABSTRACT: In the title compound, C(21)H(23)N(3)O(4), the pyrazole ring forms dihedral angles of 21.58?(8) and 66.64?(7)° with the benzene and phenyl rings, respectively. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Liu SB

PROVIDER: S-EPMC3007473 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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1,5-Dimethyl-2-phenyl-4-{[(E)-3,4,5-trimethoxybenzylidene]amino}-1H-pyrazol-3(2H)-one.

Liu Shan-Bin SB Bi Cai-Feng CF Fan Yu-Hua YH Zhang Xia X Zhang Dong-Mei DM

Acta crystallographica. Section E, Structure reports online 20100731 Pt 8

In the title compound, C(21)H(23)N(3)O(4), the pyrazole ring forms dihedral angles of 21.58 (8) and 66.64 (7)° with the benzene and phenyl rings, respectively. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21588435

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4-{[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The title Schiff base compound, C(23)H(23)N(5)O, was synthesized by the reaction of 4-amino-phenazone and 3,5-dimethyl-1-phenyl-pyrazole-4-carbaxaldehyde. The mol-ecule adopts an E configuration about the central C=N double bond. A weak intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the pyrazole rings is 24.72?(10)° and the dihedral angles between the pyrazole rings and the adjacent phenyl rings are 58.67?(10) and 46.58?(11)°. The crystal structure is stabilized by weak C-H?? inter-actions involving the pyrazolone and phenyl rings.

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4-{[4-(Dimethylamino)benzylidene]-amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The azomethine double-bond in the title Schiff base, C(20)H(22)N(4)O, has an E-configuration. The aromatic ring of the benzyl-idene portion (r.m.s. deviation 0.011?Å) and the five-membered pyrazolyl ring (r.m.s. deviation 0.033?Å) form a dihedral angle of 19.0?(1)°. The phenyl substituent is twisted by 55.0?(1)° with respect to the five-membered ring.

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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.

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4-[(Anthracen-9-yl-methyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(26)H(21)N(3)O, the phenyl ring of the 4-amino-anti-pyrine group and the heterocyclic five-membered ring along with its substituents, except for the N-bound methyl group (r.m.s. deviation = 0.0027?Å), form a dihedral angle of 54.20?(5)°. Two S(6) ring motifs are formed due to intra-molecular C-H?N and C-H?O hydrogen bonds. In the crystal, mol-ecules are linked into supra-molecular chains along the a-axis direction via C-H?O contacts.

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Project description:In the mol-ecule of the title compound, C(22)H(20)ClN(5)O, the atoms of the two pyrazole rings and the -C=N- group which joins them are essentially coplanar, with an r.m.s. deviation of 0.054?(2)?Å. The phenyl rings form dihedral angles of 41.24?(5) and 55.53?(5)° with this plane. The crystal structure is stabilized by weak inter-molecular ?-? inter-actions, with centroid-to-centroid distances of 3.6179?(13)?Å between the imidazole rings.

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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.

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1,5-Dimethyl-4-[(5-methyl-2-furyl)-methyl-ene-amino]-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(17)H(17)N(3)O(2), a derivative of 4-amino-anti-pyrine, the structure displays a trans configuration with respect to the imine C=N double bond. The pyrazoline ring is essentially planar and makes a dihedral angle of 55.80 (1)° with the phenyl ring.

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1,5-Dimethyl-2-phenyl-4-[phenyl(pyri-din-2-ylamino)methyl]-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(23)H(22)N(4)O, the pyrazole ring makes dihedral angles of 45.57?(11)° with the attached phenyl ring, and 83.98?(10) and 67.85?(10) °, respectively, with the other phenyl ring and the pyridyl ring. The pyridyl ring makes a dihedral angle of 80.15?(10)° with the adjacent phenyl ring. In the crystal, N-H?O hydrogen bonds supplemented by weak C-H?O hydrogen bonds link the mol-ecules into chains which run parallel to the a-axis direction.

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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.

Project description: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.

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1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one-4,4'-(propane-2,2-di-yl)bis-[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] (1/1).

Project description:The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different mol-ecules. The smaller is known as anti-pyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] and the larger is built up from two antypirine mol-ecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4'-(propane-2,2-di-yl)bis-[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one]. Intra-molecular C-H?O hydrogen bonds occur in the latter mol-ecule. In the crystal, C-H?O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001).

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