<HashMap><database>biostudies-literature</database><scores><citationCount>0</citationCount><reanalysisCount>0</reanalysisCount><viewCount>46</viewCount><searchCount>0</searchCount></scores><additional><omics_type>Unknown</omics_type><volume>65(Pt 10)</volume><submitter>Smith G</submitter><pubmed_abstract>In the structure of the 1:1 proton-transfer compound of 1,10-phenanthroline with 4,5-dichloro-phthalic acid, C(12)H(9)N(2) (+)·C(8)H(3)Cl(2)O(4) (-), determined at 130?K, the 1,10-phenanthrolinium cation and the hydrogen 4,5-dichloro-phthalate anion associate through a single N-H?O(carbox-yl) hydrogen bond giving discrete units which have no extension except through a number of weak cation C-H?O(anion) associations and weak cation-anion aromatic ring ?-? inter-actions [minimum centroid-centroid separation = 3.6815?(12)?Å]. The anions are essentially planar "[maximum deviation 0.214?(1)?Å (a carboxyl O)] with the syn-related H atom of the carboxyl group, forming a short intra-molecular O-H?O(carbox-yl) hydrogen bond.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o2333</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2970357</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>1,10-Phenanthrolin-1-ium 2-carb-oxy-4,5-dichloro-benzoate.</pubmed_title><pmcid>PMC2970357</pmcid><pubmed_authors>Wermuth UD</pubmed_authors><pubmed_authors>White JM</pubmed_authors><pubmed_authors>Smith G</pubmed_authors><view_count>46</view_count></additional><is_claimable>false</is_claimable><name>1,10-Phenanthrolin-1-ium 2-carb-oxy-4,5-dichloro-benzoate.</name><description>In the structure of the 1:1 proton-transfer compound of 1,10-phenanthroline with 4,5-dichloro-phthalic acid, C(12)H(9)N(2) (+)·C(8)H(3)Cl(2)O(4) (-), determined at 130?K, the 1,10-phenanthrolinium cation and the hydrogen 4,5-dichloro-phthalate anion associate through a single N-H?O(carbox-yl) hydrogen bond giving discrete units which have no extension except through a number of weak cation C-H?O(anion) associations and weak cation-anion aromatic ring ?-? inter-actions [minimum centroid-centroid separation = 3.6815?(12)?Å]. The anions are essentially planar "[maximum deviation 0.214?(1)?Å (a carboxyl O)] with the syn-related H atom of the carboxyl group, forming a short intra-molecular O-H?O(carbox-yl) hydrogen bond.</description><dates><release>2009-01-01T00:00:00Z</release><publication>2009 Sep</publication><modification>2021-02-21T02:04:11Z</modification><creation>2019-03-27T00:00:14Z</creation></dates><accession>S-EPMC2970357</accession><cross_references><pubmed>21577804</pubmed><doi>10.1107/S1600536809034448</doi></cross_references></HashMap>