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Crystal structure of pencycuron.

ABSTRACT: In the title compound [systematic name: 1-(4-chloro-benz-yl)-1-cyclo-pentyl-3-phenyl-urea], C19H21ClN2O, which is a urea fungicide, the cyclo-pentyl ring adopts an envelope conformation, with one of the methyl-ene 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 cyclo-pentyl ring (all atoms) and the chloro-benzyl and phenyl rings are 77.96?(6) and 57.77?(7)°, respectively. In the crystal, N-H?O hydrogen bonds link adjacent mol-ecules, forming C(4) chains propagating along the b-axis direction. The chains are linked by weak ?-? inter-actions between the chloro-benzene rings [centroid-centroid separation = 3.9942?(9)?Å], resulting in two-dimensional networks extending parellel to the (110) plane.

SUBMITTER: Kang G

PROVIDER: S-EPMC4571381 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of pencycuron.

Kang Gihaeng G Kim Jineun J Kwon Eunjin E Kim Tae Ho TH

Acta crystallographica. Section E, Crystallographic communications 20150704 Pt 8

In the title compound [systematic name: 1-(4-chloro-benz-yl)-1-cyclo-pentyl-3-phenyl-urea], C19H21ClN2O, which is a urea fungicide, the cyclo-pentyl ring adopts an envelope conformation, with one of the methyl-ene 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 cyclo-pentyl ring (all atoms) and the chloro-benzyl and phenyl rings are 77.96 (6) and 57.77 (7)°, respectively. In the crystal, N-H⋯O hydrogen bonds link adjace ...[more]

PMID: 26396781

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