Crystal structure of fenbuconazole

Acta Crystallographica Section E: Crystallographic Communications

Kang, G.¹  Kim, J.¹  Kim, T.H.¹  Park, H.¹ 

[1] Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 52828, Republic of Korea

关键词: CRYSTAL STRUCTURE;    FUNGICIDE;    FENBUCONAZOLE;    C-CL...[PI] INTERACTIONS;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S205698901501542X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chloro­phen­yl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmeth­yl)butyro­nitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chloro­phenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C—C—C—C linkage between the tertiary C atom and the benzene ring has an anti orientation [torsion angle = 174.47 (12)°]. In the crystal, C—H⋯N hydrogen bonds and very weak C—Cl⋯π inter­actions [Cl⋯π = 3.7892 (9) Å] link adjacent mol­ecules, forming two-dimensional networks lying parellel to the (101) plane. The planes are linked by weak π–π inter­actions [centroid–centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

【 授权许可】

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