Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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.

ABSTRACT: 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.

SUBMITTER: Dai H

PROVIDER: S-EPMC3254498 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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.

Dai Hong H Li Shuang S Luo Kun-Peng KP Fang Jian-Xin JX Shi Yu-Jun YJ

Acta crystallographica. Section E, Structure reports online 20111217 Pt 1

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. ...[more]

PMID: 22259441

Similar Datasets

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

(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

(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

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

2-(Benzo[d]thia-zol-2-ylsulfan-yl)-N-(6-methyl-2-pyrid-yl)acetamide.

Project description:In the title compound, C(15)H(13)N(3)OS(2), the pyridine ring and the benzo[d]thia-zole unit subtend a dihedral angle of 57.7 (2)°. The length of the C(sp) (2)-S bond [1.7462 (17) Å] is significantly shorter than that of the C(sp) (3)-S bond [1.8133 (18) Å]. The crystal structure is stabilized by intra-molecular N-H⋯N and inter-molecular C-H⋯O and C-H⋯N hydrogen-bond inter-actions. Furthermore, C-H⋯π inter-actions stabilize the crystal packing.

| S-EPMC2977658 | biostudies-literature

2-(4-Chloro-phen-yl)-3-methyl-N-(5-methyl-thia-zol-2-yl)butanamide.

Project description:In the title compound, C(15)H(17)ClN(2)OS, the thia-zole ring, which is essentially planar with a maximum deviation of 0.044 (3) Å, makes a dihedral angle of 54.76 (8)° with the benzene ring. In the crystal, adjacent molecules related by twofold rotation symmetry are linked by pairs of N-H⋯N hydrogen bonds.

| S-EPMC2968093 | biostudies-literature

(2-Anilino-4-methyl-thia-zol-5-yl)(4-chloro-phen-yl)methanone.

Project description:The title compound, C(17)H(13)ClN(2)OS, crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit which differ slightly in their conformations. In mol-ecule A, the thiazole ring makes dihedral angles of 27.44?(14) and 66.05?(6)° with the phenyl and chloro-benzene rings. In mol-ecule B, the respective angles are 29.09?(10) and 47.63?(9)°, while values of 25.67?(11) and 51.01?(7)° are observed in mol-ecule C. In the crystal, N-H?N and N-H?O hydrogen bonds generate a three-dimensional network structure.

| S-EPMC3254502 | biostudies-literature

5-(4-Chloro-phen-oxy)-1-methyl-3-tri-fluoro-methyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-pyridin-5-yl)meth-yl]oxime.

Project description:In the title mol-ecule, C(18)H(13)Cl(2)F(3)N(4)O(2), the intra-molecular distance between the centroids of the benzene and pyridine rings is 3.953?(3)?Å, and the trifluoro-methyl group is rotationally disordered over two orientations in a 0.678?(19):0.322?(19) ratio. The crystal packing exhibits weak inter-molecular C-H?F inter-actions.

| S-EPMC3238903 | biostudies-other

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

Project description: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.

| S-EPMC3393940 | biostudies-literature

5-(4-Bromo-phen-oxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-meth-oxy-1,3,4-thia-diazol-2-yl)-meth-yl]oxime.

Project description:In the title mol-ecule, C(16)H(16)BrN(5)O(3)S, the 1,3,4-thia-diazole ring is situated under the benzene ring, forming a dihedral angle of 86.6?(2)°, and with an S?Cg (where Cg is the centroid of the benzene ring) distance of 3.312?(3)?Å. The benzene and 1,3,4-thia-diazole rings form dihedral angles of 83.8?(3) and 57.7?(2)°, respectively, with the central pyrazole ring. In the absence of classical hydrogen bonds, the crystal packing is stabilized by a C-H?? inter-action..

| S-EPMC3515227 | biostudies-other

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