Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(25)H(22)N(4)O(4), the central benzene ring, makes dihedral angles of 74.35?(6), 17.01?(8) and 62.19?(7)°, respectively, with the nitro-benzyl ring, the pyrazolone ring and the terminal phenyl ring. Inter-molecular C-H?O hydrogen bonds help to consolidate the crystal packing.

SUBMITTER: Liu SX

PROVIDER: S-EPMC2959699 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Liu Shou-Xin SX Tian Xia X Zhen Xiao-Li XL Li Zhen-Chao ZC Han Jian-Rong JR

Acta crystallographica. Section E, Structure reports online 20081031 Pt 11

In the title compound, C(25)H(22)N(4)O(4), the central benzene ring, makes dihedral angles of 74.35 (6), 17.01 (8) and 62.19 (7)°, respectively, with the nitro-benzyl ring, the pyrazolone ring and the terminal phenyl ring. Inter-molecular C-H⋯O hydrogen bonds help to consolidate the crystal packing. ...[more]

PMID: 21581099

Similar Datasets

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

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-(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-[(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

A second monoclinic polymorph of 4-(2-hydr-oxy-4-methoxy-benzyl-ideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The title compound, C(19)H(19)N(3)O(3), prepared by condensing 4-amino-anti-pyrine and 4-meth-oxy-2-hydroxy-benzaldehyde in methanol, is the second monoclinic polymorph of this compound which crystallizes in the space group C2/c. The structure was previously reported [Wang, Zhang, Yan, Zheng & Yang (2007 ?). Acta Cryst. E63, o1245-o1246] in the space group P2(1)/c. The hydroxyl group is disordered over two positions with occupancies of 0.787?(4) and 0.213?(4). The triply substituted benzene ring and the phenyl ring form dihedral angles of 12.2?(2) and 53.7?(2)°, respectively, with the pyrazolone ring; the corresponding values in the P2(1)/c polymorph are 7.5?(2) and 42.6?(2)°. Intra-molecular O-H?N and C-H?O hydrogen bonds are observed in the major disorder component. Adjacent molecules are linked through intermolecular O-H?O hydrogen bonds, forming dimers.

| S-EPMC2959388 | biostudies-other

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

Project description: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.

| S-EPMC3006957 | biostudies-literature

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)-(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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data