{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["22(5)"],"submitter":["Gallagher JF"],"pubmed_abstract":["A 3 × 3 isomer grid of nine <i>N</i>-(chlorophenyl)pyridinecarboxamides (<b>NxxCl</b>) is reported with physicochemical studies and single crystal structures (<b>Nx</b> = pyridinoyl moiety; <b>xCl</b> = aminochlorobenzene ring; <b>x</b> = <i>para</i>-/<i>meta</i>-/<i>ortho</i>-), as synthesized by the reaction of the substituted <i>p</i>-/<i>m</i>-/<i>o</i>-pyridinecarbonyl chlorides (<b>Nx</b>) with <i>p</i>-/<i>m</i>-/<i>o</i>-aminochlorobenzenes (<b>xCl</b>). Several of the nine <b>NxxCl</b> crystal structures display structural similarities with their halogenated <b>NxxX</b> and methylated <b>NxxM</b> relatives (<b>x</b> = <i>p</i>-/<i>m-</i>/<i>o</i>-substitutions; <b>X</b> = F, Br; <b>M</b> = methyl). Indeed, five of the nine <b>NxxCl</b> crystal structures are isomorphous with their"],"journal":["Crystal growth & design"],"pagination":["3343-3358"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9074230"],"repository":["biostudies-literature"],"pubmed_title":["Probing the Electronic Properties and Interaction Landscapes in a Series of <i>N</i>-(Chlorophenyl)pyridinecarboxamides."],"pmcid":["PMC9074230"],"pubmed_authors":["Jelsch C","Gallagher JF","Guillot B","Hehir N","Violin C","Espinosa E","Mocilac P","Aubert E","O'Connor BF"],"additional_accession":[]},"is_claimable":false,"name":"Probing the Electronic Properties and Interaction Landscapes in a Series of <i>N</i>-(Chlorophenyl)pyridinecarboxamides.","description":"A 3 × 3 isomer grid of nine <i>N</i>-(chlorophenyl)pyridinecarboxamides (<b>NxxCl</b>) is reported with physicochemical studies and single crystal structures (<b>Nx</b> = pyridinoyl moiety; <b>xCl</b> = aminochlorobenzene ring; <b>x</b> = <i>para</i>-/<i>meta</i>-/<i>ortho</i>-), as synthesized by the reaction of the substituted <i>p</i>-/<i>m</i>-/<i>o</i>-pyridinecarbonyl chlorides (<b>Nx</b>) with <i>p</i>-/<i>m</i>-/<i>o</i>-aminochlorobenzenes (<b>xCl</b>). Several of the nine <b>NxxCl</b> crystal structures display structural similarities with their halogenated <b>NxxX</b> and methylated <b>NxxM</b> relatives (<b>x</b> = <i>p</i>-/<i>m-</i>/<i>o</i>-substitutions; <b>X</b> = F, Br; <b>M</b> = methyl). Indeed, five of the nine <b>NxxCl</b> crystal structures are isomorphous with their","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 May","modification":"2025-04-04T09:10:35.972Z","creation":"2024-11-20T15:43:05.975Z"},"accession":"S-EPMC9074230","cross_references":{"pubmed":["35547941"],"doi":["10.1021/acs.cgd.2c00153"]}}