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5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

By Chen-Yi Wang

Abstract

The title compound, C22H24N2OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter­molecular C—H⋯O inter­actions 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

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:2915325
Provided by: PubMed Central

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Citations

  1. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq Occ.
  2. (2001). The formation of the title compound. 5-(4-tert-Butylbenzylsulfanyl)-3-methyl-1-phenyl-1H-pyrazole-4- carbaldehyde Crystal data

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