{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 1)"],"submitter":["Cho S"],"pubmed_abstract":["The title compound (systematic name: 1-{3,5-di-chloro-4-[3-chloro-5-(tri-fluoro-meth-yl)pyridin-2-yl-oxy]phen-yl}-3-(2,6-difluoro-benzo-yl)urea), C20H9Cl3F5N3O3, is a benzoyl-phenyl-urea insecticide. The dihedral angles between the planes of the central di-chloro-phenyl and the terminal di-fluoro-phenyl and chloro-pyridyl rings are 79.51 (6) and 78.84 6)°, respectively. In the crystal, pairs of N-H⋯O hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers. In addition, the dimers are linked by short F⋯Cl [3.1060 (16) Å] and Cl⋯Cl [3.2837 (7) Å] contacts, as well as weak inter-molecular π-π inter-actions [ring centroid separation = 3.6100 (11) and 3.7764 (13) Å], resulting in a two-dimensional architecture parallel to (111)."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["o55"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4331875"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of chlorfluazuron."],"pmcid":["PMC4331875"],"pubmed_authors":["Kim TH","Lee S","Kim J","Cho S"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of chlorfluazuron.","description":"The title compound (systematic name: 1-{3,5-di-chloro-4-[3-chloro-5-(tri-fluoro-meth-yl)pyridin-2-yl-oxy]phen-yl}-3-(2,6-difluoro-benzo-yl)urea), C20H9Cl3F5N3O3, is a benzoyl-phenyl-urea insecticide. The dihedral angles between the planes of the central di-chloro-phenyl and the terminal di-fluoro-phenyl and chloro-pyridyl rings are 79.51 (6) and 78.84 6)°, respectively. In the crystal, pairs of N-H⋯O hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers. In addition, the dimers are linked by short F⋯Cl [3.1060 (16) Å] and Cl⋯Cl [3.2837 (7) Å] contacts, as well as weak inter-molecular π-π inter-actions [ring centroid separation = 3.6100 (11) and 3.7764 (13) Å], resulting in a two-dimensional architecture parallel to (111).","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 Jan","modification":"2024-10-19T10:51:26.769Z","creation":"2019-03-27T01:46:38Z"},"accession":"S-EPMC4331875","cross_references":{"pubmed":["25705506"],"doi":["10.1107/S2056989014026632"]}}