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

ABSTRACT: The title Schiff base compound, C(22)H(24)IN(3)O(2), adopts an E configuration about the central C=N bond. The pyrazolone ring makes a dihedral angle of 49.68 (10)° with its attached phenyl ring. The phenolate plane makes dihedral angles of 16.78 (9) and 50.54 (9)°, respectively, with the pyrazolone ring and the terminal phenyl ring. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, an inter-molecular C-H⋯O hydrogen bond is also observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3006957 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3006971 | biostudies-literature

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

Project description: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.

| S-EPMC2959356 | 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

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

Project description:The imino-carbon double-bond in the title Schiff base, C(20)H(21)N(3)O(3), has an E configuration; the six-membered aromatic substituent (r.m.s. deviation = 0.012?Å) is nearly coplanar with five-membered pyrazole substituent (r.m.s. deviation = 0.031?Å), the dihedral angle between the two systems being 11.4?(1)°]. The phenyl ring connected to the pyrazole ring is aligned at 45.5?(1)° with respect to this five-membered ring. The N atoms in the ring show pyramidal coordinations.

| S-EPMC3006806 | biostudies-other

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.

| S-EPMC3006732 | biostudies-literature

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.

| S-EPMC3009282 | biostudies-literature

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.

| S-EPMC3201426 | biostudies-literature

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

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

Project description:The title Schiff base, C(24)H(21)N(3)O(2), adopts an E configuration with respect to the central C=N bond. The pyrazole ring and the central benzene ring attached to the imino group are almost coplanar. The phenyl ring attached to the pyrazole unit is twisted by 39.3?(2)° with respect to the pyrazole ring plane. The phen-oxy benzene ring makes a dihedral angle of 79.8?(2)° with the central benzene ring.

| S-EPMC2960683 | biostudies-literature

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

Project description:The title compound, C(19)H(19)N(3)O(2), is a Schiff base compound derived from 4-amino-anti-pyrine and 5-hydr-oxy-2-methyl-benzaldehyde. The mol-ecule adopts a trans configuration about the central C=N bond. There is an intra-molecular O-H?N hydrogen bond. Futhermore, weak C-H?O hydrogen bonds lead to the formation of a chain developing parallel to the b axis.

| S-EPMC2959250 | biostudies-other

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