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5-(4-tert-Butyl-benzyl-sulfan-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

ABSTRACT: The title compound, C(22)H(24)N(2)OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter-molecular C-H⋯O inter-actions are observed. The dihedral angles between the planes of the pyrazole and phenyl rings, and between the benzene and pyrazole rings are 54.2 (2) and 25.0 (3)°, respectively. The methyl groups of the tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35.

SUBMITTER: Wang CY

PROVIDER: S-EPMC2915325 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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5-(4-tert-Butyl-benzyl-sulfan-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

Wang Chen-Yi CY

Acta crystallographica. Section E, Structure reports online 20071212 Pt 1

The title compound, C(22)H(24)N(2)OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter-molecular C-H⋯O inter-actions are observed. The dihedral angles between the planes of the pyrazole and phenyl rings, and between the benzene and pyrazole rings are 54.2 (2) and 25.0 (3)°, respectively. The methyl groups of the tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35. ...[more]

PMID: 21200835

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