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Crystal structure of flufenoxuron: a benzoyl-urea pesticide.

Jeon Y, Kang G, Lee S, Kim TH - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-di-fluoro-benzo-yl)urea), is a benzoyl-urea pesticide.The dihedral angles between the central fluoro-benzene ring and the terminal di-fluoro-phenyl ring and chloro-phenyl ring system are 62.15 (5) and 88.03 (5)°, respectively.In addition, the chains are linked by weak C-H⋯π and π-π inter-actions [inter-centroid distances = 3.661 (2) and 3.535 (12) Å], resulting in a three-dimensional architecture.

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Affiliation: Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 660-701, Republic of Korea.

ABSTRACT
The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-di-fluoro-benzo-yl)urea), is a benzoyl-urea pesticide. The dihedral angles between the central fluoro-benzene ring and the terminal di-fluoro-phenyl ring and chloro-phenyl ring system are 62.15 (5) and 88.03 (5)°, respectively. In the crystal, N-H⋯O hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers that pack into loop chains along the a-axis direction by short F⋯F contacts [2.729 (2) Å]. In addition, the chains are linked by weak C-H⋯π and π-π inter-actions [inter-centroid distances = 3.661 (2) and 3.535 (12) Å], resulting in a three-dimensional architecture.

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Crystal packing of the title compound viewed along the b axis. The N—H···O hydrogen bonds, weak π···π interactions, and short F···F contacts are shown as dashed lines (see Table 1 for details).
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Fap2: Crystal packing of the title compound viewed along the b axis. The N—H···O hydrogen bonds, weak π···π interactions, and short F···F contacts are shown as dashed lines (see Table 1 for details).


Crystal structure of flufenoxuron: a benzoyl-urea pesticide.

Jeon Y, Kang G, Lee S, Kim TH - Acta Crystallogr Sect E Struct Rep Online (2014)

Crystal packing of the title compound viewed along the b axis. The N—H···O hydrogen bonds, weak π···π interactions, and short F···F contacts are shown as dashed lines (see Table 1 for details).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257195&req=5

Fap2: Crystal packing of the title compound viewed along the b axis. The N—H···O hydrogen bonds, weak π···π interactions, and short F···F contacts are shown as dashed lines (see Table 1 for details).
Bottom Line: The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-di-fluoro-benzo-yl)urea), is a benzoyl-urea pesticide.The dihedral angles between the central fluoro-benzene ring and the terminal di-fluoro-phenyl ring and chloro-phenyl ring system are 62.15 (5) and 88.03 (5)°, respectively.In addition, the chains are linked by weak C-H⋯π and π-π inter-actions [inter-centroid distances = 3.661 (2) and 3.535 (12) Å], resulting in a three-dimensional architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 660-701, Republic of Korea.

ABSTRACT
The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-di-fluoro-benzo-yl)urea), is a benzoyl-urea pesticide. The dihedral angles between the central fluoro-benzene ring and the terminal di-fluoro-phenyl ring and chloro-phenyl ring system are 62.15 (5) and 88.03 (5)°, respectively. In the crystal, N-H⋯O hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers that pack into loop chains along the a-axis direction by short F⋯F contacts [2.729 (2) Å]. In addition, the chains are linked by weak C-H⋯π and π-π inter-actions [inter-centroid distances = 3.661 (2) and 3.535 (12) Å], resulting in a three-dimensional architecture.

No MeSH data available.


Related in: MedlinePlus