Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(2-Hydroxy-phen-yl)-5-(2-methoxy-phenyl)-1H-pyrazole.

ABSTRACT: The title compound, C(16)H(14)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(2-methoxy-phen-yl)propane-1,3-dione. The mol-ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.089?Å). Two intra-molecular hydrogen bonds stabilize the mol-ecular conformation and one N-H?O hydrogen bond stabilizes the crystal structure.

SUBMITTER: Hasan A

PROVIDER: S-EPMC2960634 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(2-Hydroxy-phen-yl)-5-(2-methoxy-phenyl)-1H-pyrazole.

Hasan Aurangzeb A Ikram Sumera S Badshah Amir A Bolte Michael M Zia Mehwash M

Acta crystallographica. Section E, Structure reports online 20080816 Pt 9

The title compound, C(16)H(14)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(2-methoxy-phen-yl)propane-1,3-dione. The mol-ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.089 Å). Two intra-molecular hydrogen bonds stabilize the mol-ecular conformation and one N-H⋯O hydrogen bond stabilizes the crystal structure. ...[more]

PMID: 21201749

Similar Datasets

1-(2,4-Dinitro-phen-yl)-3-phenyl-4-phenyl-sulfanyl-1H-pyrazole.

Project description:In the title mol-ecule, C(21)H(14)N(4)O(4)S, the pyrazole ring forms dihedral angles of 45.6?(1), 87.7?(1) and 27.4?(1)° with the phenyl, sulfur-substituted benzene and nitro-substituted benzene rings, respectively. In the crystal, mol-ecules are connected by weak C-H?O and C-H?N hydrogen bonds into layers parallel to (010).

| S-EPMC3470205 | biostudies-literature

Ethyl 5-(ethoxy-carbon-yl)-3-(4-methoxy-phen-yl)-1H-pyrazole-1-acetate.

Project description:In the title compound, C(17)H(20)N(2)O(5), all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 6.98?(11)°. The mol-ecules are linked by inter-molecular C-H?? inter-actions.

| S-EPMC2915022 | biostudies-literature

3-(4-Bromo-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:The asymmetric unit of the title compound, C16H11BrN2O, contains two independent mol-ecules with slightly different geometries. The 4-bromo-benzene ring forms dihedral angles of 26.0 (2) and 39.9 (7)° with the pyrazole ring in the two mol-ecules while the phenyl ring is oriented at 19.7 (5) and 7.3 (0)° with respect to the pyrazole ring.

| S-EPMC3588988 | biostudies-literature

5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(16)BrFN(2), the fluoro-substituted benzene ring is disordered over two orientations about the C-F bond and the C-C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516?(8):0.484?(8). The central pyrazole ring [maximum deviation = 0.035?(3)?Å] makes dihedral angles of 22.4?(2), 11.0?(2), 77.19?(16) and 7.44?(17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into a layer parallel to the bc plane through C-H?? inter-actions.

| S-EPMC3435702 | biostudies-literature

3,5-Bis(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(16)F(2)N(2), the dihedral angle between the fluoro-phenyl groups is 66.34?(8)°, and the dihedral angle between the envelope-configured pyrazole group (N/N/C/C/C) and the benzene ring is 11.50?(9)°. The dihedral angles between the benzene and the two fluoro-substituted phenyl groups are 77.7?(6) and 16.7?(5)°. Weak C-H?? interactions contribute to the stability of the crystal structure.

| S-EPMC3007318 | biostudies-literature

3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:Four independent mol-ecules comprise the asymmetric unit of the title compound, C(17)H(14)N(2)O(2). The central pyrazoline ring is flanked by an N-bound benzene ring and a C-bound meth-oxy-substituted benzene ring. The greatest difference between the independent mol-ecules is found in the relative orientations of the benzene rings with the range of dihedral angles being 23.59?(6)-42.55?(6)°. In the crystal, extensive C-H?O inter-actions link mol-ecules into layers parallel to (02[Formula: see text]) and these are linked by C-H?? contacts.

| S-EPMC3247369 | biostudies-literature

3,5-Bis(4-methyl-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(23)H(22)N(2), the dihedral angle between the methyl-benzene groups is 77.62 (6)°, and the dihedral angle between the envelope-shaped pyrazole ring [in which one C atom displaced by 0.109 (1) Å from the mean plane of the other four atoms] and the phenyl ring is 17.57 (7)°. The dihedral angles between the phenyl ring and the two methyl-benzene rings are 13.24 (6) and 81.02 (7)°. In the crystal, weak C-H⋯π inter-actions link the mol-ecules.

| S-EPMC3099927 | biostudies-literature

Ethyl 1-(4-methyl-phen-yl)-5-phenyl-4-phenyl-sulfon-yl-1H-pyrazole-3-carboxyl-ate.

Project description:The title compound, C(25)H(22)N(2)O(4)S, features a tetra-substituted pyrazole ring. The dihedral angles formed between the five-membered ring (r.m.s. deviation = 0.007?Å) and the N- and C-bound phenyl rings are 48.10?(7) and 72.01?(7) °, respectively, indicating that the planes through the residues are significantly twisted from the plane through the heterocycle. The ester-CO(2) group is also twisted out of this plane, with an O-C-C-N torsion angle of -29.04?(11)°. The sulfonyl-O atoms lie to one side of the pyrazole plane and the sulfonyl-phenyl ring to the other. The dihedral angle between the two ring planes is 70.63?(7) °. Supra-molecular arrays are formed in the crystal structure sustained by C-H?O and C-H??(pyrazole) inter-actions and methyl-C-H??(N-bound benzene) contacts.

| S-EPMC3201465 | biostudies-literature

2-[5-(4-Hydroxy-phen-yl)-1-phenyl-1H-pyrazol-3-yl]phenol.

Project description:The title compound, C(21)H(16)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(4-methoxy-phen-yl)propane-1,3-dione. The pyrazole ring and one of the hydr-oxy-substituted benzene rings are approximately coplanar, forming a dihedral angle of 7.5?(3)°. The relative conformation of these rings may be influenced by an intra-molecular O-H?N hydrogen bond. In the crystal structure, inter-molecular O-H?O hydrogen bonds involving different hydr-oxy groups of symmetry-related mol-ecules form extended chains along [201].

| S-EPMC2961782 | biostudies-literature

4-(4-Fluoro-phen-yl)-1-methoxy-methyl-2-phenyl-1H-imidazole.

Project description:In the crystal structure of the title compound, C(17)H(15)FN(2)O, the mol-ecules form a three-dimensional network stabilized by ?-? inter-actions between two imidazole rings related by a centre of symmetry. The distance between the centroids is 3.5488?(8)?Å. The imidazole ring makes dihedral angles of 14.30?(7) and 33.39?(7)° with the 4-fluoro-phenyl ring and the phenyl ring, respectively.

| S-EPMC2971265 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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