Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(2-Chloro-phen-oxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime.

ABSTRACT: In the title mol-ecule, C(12)H(12)ClN(3)O(2), the benzene and pyrazole rings are inclined to each other at a dihedral angle of 83.3 (3)°. In the crystal, mol-ecules are linked into [010] chains via O-H⋯N hydrogen bonds with the unsubstituted pyrazole N atom acting as the acceptor.

SUBMITTER: Zhang HJ

PROVIDER: S-EPMC3393940 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

5-(2,4-Dichloro-phen-oxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title mol-ecule, C(12)H(10)Cl(2)N(2)O(2), the benzene and pyrazole rings form a dihedral angle of 72.8 (3)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along [01[Formula: see text]].

| S-EPMC3238861 | biostudies-literature

1,3-Dimethyl-5-(3-methyl-phen-oxy)-1H-pyrazole-4-carbaldehyde.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(14)N(2)O(2), in which the dihedral angles between the substituted phenyl ring and the pyrazole ring are 86.5 (2) and 82.3 (3)°. The crystal packing features weak inter-molecular C-H⋯O inter-actions.

| S-EPMC3239131 | biostudies-literature

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C(6)H(7)ClN(2)O, the mol-ecules are situated on mirror planes, so H atoms of two methyl groups were treated as rotationally disordered over two orientations each. The crystal packing exhibits weak inter-molecular C-H⋯O inter-actions and short Cl⋯N contacts of 3.046 (2) Å.

| S-EPMC3247348 | biostudies-literature

1-Methyl-5-phen-oxy-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde oxime.

Project description:In the title compound, C(12)H(10)F(3)N(3)O(2), the dihedral angle between the phenyl and pyrazole rings is 96.6?(3)°. In the crystal, pairs of O-H?N hydrogen bonds link the mol-ecules, forming inversion dimers. Weak inter-molecular C-H?F hydrogen bonds are also observed.

| S-EPMC3100010 | biostudies-literature

(E)-3-Methyl-5-(4-methyl-phen-oxy)-1-phenyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime.

Project description:In the title compound, C(22)H(19)ClN(4)O(2)S, the planes of the benzene ring, the substituted phenyl ring and the thia-zole ring make dihedral angles of 18.4 (3), 88.9 (2) and 63.0 (3)°, respectively, with the pyrazole ring.

| S-EPMC3052122 | biostudies-literature

5-(4-Chloro-phen-oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C17H13ClN2O2, the phenyl and chloro-benzene rings are inclined to the central pyrazole ring at 40.84?(9) and 65.30?(9)°, respectively. In the crystal, pairs of C-H?? inter-actions link the mol-ecules into inversion dimers and C-H?O hydrogen bonds link these dimers into columns extended in [010]. The crystal packing exhibits short inter-molecular O?Cl contacts of 3.0913?(16)?Å.

| S-EPMC4011310 | biostudies-literature

(E)-1-Methyl-5-(3-methyl-4-chloro-phen-oxy)-3-trifluoro-meth-yl-1H-pyrazole-4-carbaldehyde O-acetyl-oxime.

Project description:In the title mol-ecule, C(15)H(13)ClF(3)N(3)O(3), the pyrazole and benzene rings form a dihedral angle of 77.6 (3)°. In the crystal, mol-ecules related by translation along the a axis are linked into chains via C-H⋯O hydrogen bonds. The crystal packing is stabilized further by weak π-π [centroid-centroid distance = 3.734 (6) Å] and dipole-dipole inter-actions [C⋯O = 3.174 (2) Å].

| S-EPMC3052068 | biostudies-literature

5-(3-Chloro-phen-ylsulfan-yl)-1-methyl-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime.

Project description:In the title compound, C(16)H(11)Cl(2)F(3)N(4)OS(2), the benzene ring and the thia-zole ring make dihedral angles of 83.2?(3) and 78.3?(3)°, respectively, with the pyrazole ring. The crystal packing shows S?N contacts of 3.309?(2)?Å.

| S-EPMC3254498 | biostudies-literature

1-Methyl-3-trifluoro-methyl-5-[(3-chloro-phen-yl)sulfanyl]-1H-pyrazole-4-carbaldehyde O-(4-chloro-benzo-yl)oxime.

Project description:In the title compound, C(19)H(12)Cl(2)F(3)N(3)O(2)S, the 3-chloro-phenyl and 4-chloro-phenyl rings form dihedral angles 89.5 (2) and 11.4 (2)°, respectively, with the pyrazole ring. In the crystal, mol-ecules related by translation along the a axis are linked into chains via C-H⋯N hydrogen bonds.

| S-EPMC3238989 | biostudies-literature

3-Methyl-5-phen-oxy-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C(17)H(14)N(2)O(2), the pyrazole ring makes dihedral angles of 73.67?(4) and 45.99?(4)°, respectively, with the adjacent phenyl and phen-oxy rings. In the crystal, there are no classical hydrogen bonds, but a weak C-H?? inter-action is observed.

| S-EPMC3201428 | 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