Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Guo Y

PROVIDER: S-EPMC2961514 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Guo Yaning Y

Acta crystallographica. Section E, Structure reports online 20080530 Pt 6

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. ...[more]

PMID: 21202677

Similar Datasets

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-[(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

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

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.

| S-EPMC3009036 | biostudies-literature

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.

| S-EPMC3213599 | biostudies-literature

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

Project description: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.

| S-EPMC3007473 | biostudies-literature

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.

| S-EPMC3006679 | biostudies-literature

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.

| S-EPMC3515284 | 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)-(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.

| S-EPMC2983131 | biostudies-literature

1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(thio-phen-2-yl)meth-yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(26)H(23)N(5)O(2)S, an intra-molecular N-H⋯O inter-action generates an S(6) ring. The essentially planar S(6) and pyrazole rings [maximum deviations = -0.0270 (14) and 0.0195 (15) Å, respectively] are nearly coplanar, making a dihedral angle of 3.94 (6)°. The S(6) ring makes dihedral angles of 23.79 (6), 78.53 (6) and 67.91 (6)° with the pyrazolone ring, the pyrazole ring and the benzene ring of anti-pyrine, respectively. The structure exhibits a thienyl-ring flip disorder with occupancy factors in the ratio 0.82:0.18.

| S-EPMC3051767 | 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