<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>64(Pt 3)</volume><submitter>Bruhn C</submitter><pubmed_abstract>In the title complex, [Ir(C(10)H(15))Cl(2)(C(6)H(7)N(5))]·CH(2)Cl(2) or [Ir(η(5)-C(5)Me(5))Cl(2)(9-MeAde-κN(7))]·CH(2)Cl(2) (9-MeAde = 9-methyl-adenine), the coordination geometry of the Ir(III) atom approximates to a three-legged piano stool. The 9-methyl-adenine ligand is coordinated in a monodentate fashion to the Ir centre through its N-7 atom. The crystal structure contains centrosymmetric pairs of mol-ecules, inter-acting through two N-H⋯N hydrogen bonds. An intra-molecular N-H⋯Cl hydrogen bond is formed between the H atom of an NH(2) group and a chlorido ligand. Further short intra- and inter-molecular C-H⋯Cl contacts are observed.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>m455-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2960857</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Dichlorido(9-methyl-adenine-κN)(η-penta-methyl-cyclo-penta-dien-yl)iridium(III) dichloromethane solvate.</pubmed_title><pmcid>PMC2960857</pmcid><pubmed_authors>Steinborn D</pubmed_authors><pubmed_authors>Bruhn C</pubmed_authors><pubmed_authors>Kuger T</pubmed_authors></additional><is_claimable>false</is_claimable><name>Dichlorido(9-methyl-adenine-κN)(η-penta-methyl-cyclo-penta-dien-yl)iridium(III) dichloromethane solvate.</name><description>In the title complex, [Ir(C(10)H(15))Cl(2)(C(6)H(7)N(5))]·CH(2)Cl(2) or [Ir(η(5)-C(5)Me(5))Cl(2)(9-MeAde-κN(7))]·CH(2)Cl(2) (9-MeAde = 9-methyl-adenine), the coordination geometry of the Ir(III) atom approximates to a three-legged piano stool. The 9-methyl-adenine ligand is coordinated in a monodentate fashion to the Ir centre through its N-7 atom. The crystal structure contains centrosymmetric pairs of mol-ecules, inter-acting through two N-H⋯N hydrogen bonds. An intra-molecular N-H⋯Cl hydrogen bond is formed between the H atom of an NH(2) group and a chlorido ligand. Further short intra- and inter-molecular C-H⋯Cl contacts are observed.</description><dates><release>2008-01-01T00:00:00Z</release><publication>2008 Feb</publication><modification>2025-04-18T22:31:06.589Z</modification><creation>2019-03-26T23:59:54Z</creation></dates><accession>S-EPMC2960857</accession><cross_references><pubmed>21201851</pubmed><doi>10.1107/S1600536808003760</doi></cross_references></HashMap>