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

ABSTRACT: In the title compound, C(18)H(16)N(4)O(4), the dihedral angles between the central pyrazole ring and the pendant substituted and unsubstituted aromatic rings are 4.73?(12) and 44.24?(14)°, respectively. An intra-molecular O-H?O hydrogen bond occurs. In the crystal structure, an inter-molecular C-H?O inter-action may help to consolidate the packing and a short intra-molecular C-H?O contact also occurs.

SUBMITTER: Zhang CN

PROVIDER: S-EPMC2959356 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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

Zhang Chun-Niu CN Yang Ming-Hua MH

Acta crystallographica. Section E, Structure reports online 20080924 Pt 10

In the title compound, C(18)H(16)N(4)O(4), the dihedral angles between the central pyrazole ring and the pendant substituted and unsubstituted aromatic rings are 4.73 (12) and 44.24 (14)°, respectively. An intra-molecular O-H⋯O hydrogen bond occurs. In the crystal structure, an inter-molecular C-H⋯O inter-action may help to consolidate the packing and a short intra-molecular C-H⋯O contact also occurs. ...[more]

PMID: 21201187

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

Project description:In the title compound, C(26)H(23)N(5)O(7), the central benzene ring makes dihedral angles of 35.08?(6), 48.75?(7) and 69.55?(8)° with the pyrazolone ring, the nitro-benzene ring and the terminal phenyl ring, respectively. An intra-molecular C-H?O inter-action generates an S(6) ring. The packing is stabilized by weak nonclassical inter-molecular C-H?O=C hydrogen bonds that link adjacent mol-ecules into chains.

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

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

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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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(E)-1,5-Dimethyl-4-[3-(4-nitro-benz-yloxy)benzyl-ideneamino]-2-phenyl-1H-pyrazol-3(2H)-one.

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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-[(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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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.

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