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

ABSTRACT: 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.

SUBMITTER: Dai H

PROVIDER: S-EPMC3238989 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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

Dai Hong H Zhang Hai-Jun HJ Shi Lei L Luo Kun-Peng KP Shi Yu-Jun YJ

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

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. ...[more]

PMID: 22199838

Similar Datasets

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.

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(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].

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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.

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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.

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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.

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3-(4-Bromo-phen-yl)-1-(4-chloro-benz-yl)-1H-pyrazole-5-carbaldehyde.

Project description:The title compound, C(17)H(12)BrClN(2)O, was synthesized by oxidation of [3-(4-bromo-phen-yl)-1-(4-chloro-benz-yl)-1H-pyrazol-5-yl]methanol under mild conditions. The pyrazole ring makes dihedral angles of 3.29 (9) and 74.91 (4)°, respectively, with the bromo-phenyl and chloro-phenyl rings.

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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.

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N-[4-Chloro-2-methyl-6-(N-methyl-car-bam-oyl)phen-yl]-1-(3-chloro-2-pyrid-yl)-3-trifluoro-meth-yl-1H-pyrazole-5-carboxamide.

Project description:In the title compound, C(19)H(14)Cl(2)F(3)N(5)O(2), which shows insecticidal activity, the dihedral angle between the pyrazole and pyridine rings is 68.15 (16)°. In the crystal structure, the mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds and an intra-molecular N-H⋯O inter-action also occurs. The F atoms of the -CF(3) group are disordered over two sets of sites in a 0.800 (8):0.200 (8) ratio.

| S-EPMC2959817 | 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.

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