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X-ray investigations of sulfur-containing fungicide: Structure of the benzoylphenyl(4-tolylazo)methyl 4-tolyl sulfone

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Abstract

Crystal and molecular structure of the of benzoylphenyl(4-tolylazo)methyl 4-tolyl sulfone was determined by x-ray analysis; crystal system, monoclinic; space group P2 1/c; a = 12.807(1) Å, b = 17.512(1) Å, c = 11.879(1) Å, β = 111.23(1)°. Conformation of the title compound is constrained by attraction of the positively charged sulfur and β-carbon atoms to the negatively charged oxygen atoms. Characteristic distribution of bond lengths in the central part of a molecule suggests that electrostatic interactions are strengthened by the stereoelectronic donation of electron density from the α-azo N2 towards the sulfonyl S and β-carbonyl C2 atoms.

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  1. Institute of General and Ecological Chemistry (I-17), Technical University of Łódź, ul. Żwirki 36, 90-924, Łódź, Poland

    Wojciech M. Wolf

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Wolf, W.M. X-ray investigations of sulfur-containing fungicide: Structure of the benzoylphenyl(4-tolylazo)methyl 4-tolyl sulfone. Journal of Chemical Crystallography 31, 507–513 (2001). https://doi.org/10.1023/A:1015619300510

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