{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Novikov EM"],"funding":["NSF","National Science Foundation"],"pagination":["867-872"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11299740"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["80(Pt 8)"],"pubmed_abstract":["The crystal structures of two inter-mediates, 4-amino-3,5-di-fluoro-benzo-nitrile, C<sub>7</sub>H<sub>4</sub>F<sub>2</sub>N<sub>2</sub> (<b>I</b>), and ethyl 4-amino-3,5-di-fluoro-benzoate, C<sub>9</sub>H<sub>9</sub>F<sub>2</sub>NO<sub>2</sub> (<b>II</b>), along with a visible-light-responsive azo-benzene derivative, diethyl 4,4'-(diazene-1,2-di-yl)bis-(3,5-di-fluoro-benzoate), C<sub>18</sub>H<sub>14</sub>F<sub>4</sub>N<sub>2</sub>O<sub>4</sub> (<b>III</b>), obtained by four-step synthetic procedure, were studied using single-crystal X-ray diffraction. The mol-ecules of <b>I</b> and <b>II</b> demonstrate the quinoid character of phenyl rings accompanied by the distortion of bond angles related to the presence of fluorine substituents in the 3 and 5 (<i>ortho</i>) positions. In the crystals"],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pubmed_title":["Synthesis, mol-ecular and crystal structures of 4-amino-3,5-di-fluoro-benzo-nitrile, ethyl 4-amino-3,5-di-fluoro-benzoate, and diethyl 4,4'-(diazene-1,2-di-yl)bis-(3,5-di-fluoro-benzoate)."],"pmcid":["PMC11299740"],"funding_grant_id":["DMR-2122108","DMR-1933487"],"pubmed_authors":["Fonari MS","Timofeeva TV","Novikov EM","Guillen Campos J","Read de Alaniz J"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis, mol-ecular and crystal structures of 4-amino-3,5-di-fluoro-benzo-nitrile, ethyl 4-amino-3,5-di-fluoro-benzoate, and diethyl 4,4'-(diazene-1,2-di-yl)bis-(3,5-di-fluoro-benzoate).","description":"The crystal structures of two inter-mediates, 4-amino-3,5-di-fluoro-benzo-nitrile, C<sub>7</sub>H<sub>4</sub>F<sub>2</sub>N<sub>2</sub> (<b>I</b>), and ethyl 4-amino-3,5-di-fluoro-benzoate, C<sub>9</sub>H<sub>9</sub>F<sub>2</sub>NO<sub>2</sub> (<b>II</b>), along with a visible-light-responsive azo-benzene derivative, diethyl 4,4'-(diazene-1,2-di-yl)bis-(3,5-di-fluoro-benzoate), C<sub>18</sub>H<sub>14</sub>F<sub>4</sub>N<sub>2</sub>O<sub>4</sub> (<b>III</b>), obtained by four-step synthetic procedure, were studied using single-crystal X-ray diffraction. The mol-ecules of <b>I</b> and <b>II</b> demonstrate the quinoid character of phenyl rings accompanied by the distortion of bond angles related to the presence of fluorine substituents in the 3 and 5 (<i>ortho</i>) positions. In the crystals","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Aug","modification":"2025-04-26T05:31:20.658Z","creation":"2025-04-06T11:34:15.606Z"},"accession":"S-EPMC11299740","cross_references":{"pubmed":["39108775"],"doi":["10.1107/S2056989024006819"]}}