Crystal structure of pencycuron

Acta Crystallographica Section E: Crystallographic Communications

Kwon, E.¹  Kang, G.¹  Kim, J.¹  Kim, T.H.¹ 

[1] Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 660-701, Republic of Korea

关键词: CRYSTAL STRUCTURE;    PENCYCURON;    UREA;    FUNGICIDE;    HYDROGEN BONDING;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989015012414

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound [systematic name: 1-(4-chloro­benz­yl)-1-cyclo­pentyl-3-phenyl­urea], C19H21ClN2O, which is a urea fungicide, the cyclo­pentyl ring adopts an envelope conformation, with one of the methyl­ene C atoms adjacent to the C atom bonding to the N atom as the flap. The dihedral angles between the mean planes of the central cyclo­pentyl ring (all atoms) and the chloro­benzyl and phenyl rings are 77.96 (6) and 57.77 (7)°, respectively. In the crystal, N—H⋯O hydrogen bonds link adjacent mol­ecules, forming C(4) chains propagating along the b-axis direction. The chains are linked by weak π–π inter­actions between the chloro­benzene rings [centroid–centroid separation = 3.9942 (9) Å], resulting in two-dimensional networks extending parellel to the (110) plane.

【 授权许可】

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