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KMID : 0903519950380040359
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Journal of the Korean Society of Agricultural Chemistry and Biotechnology
1995 Volume.38 No. 4 p.359 ~ p.363
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Crystal Structure and Fungicidal Activity of N - [1 -(benzotriazol - 1 - yl) alkyl] aniline Derivatives
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Abstract
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New ten N-[1-(benzotriazol-1-yl)alkyl]aniline(4) derivatives were synthesized and the crystal structure of 4h was shown by X-ray crystallography and the absolute configuration has been assigned as S form. The molecule crystallizes in the monoclinic system, space group P2₁/n. And the molecules in the crystal are linked with each other through the hydrogen bond (N_(11)-H_(11)…N₃) with distance 2.300(11)Å. The fungicidal activity(pI_(50)) in-vitro against Botrytis cineria (BC), Phytophthora casici (PC) and Sclerotium cepinorum (SC) were determined by the agar dilution method. The structure activity relationships (SAR) between structure of 4 and the adivty were studied using a physicrochemical parameters of substituents and multiple regression technique. Amonf; these compounds, only the bromo group substituent(4f) showed higher activity, which depend on the hydrophobicity(π) of substituents. The relative orders of the activity are SC$gt;BC$gt; and PC, respectively. This implies that the activity is affected by the hydrophobic(π) nature of the Z group rather than the X group. Linear free energy relationships(LFER) on the fungicidal activity with substituents has been also discussed.
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KEYWORD
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