Dichlorido(9-methyladenine-κN 7)(η5-pentamethylcyclopentadienyl)iridium(III) dichloromethane solvate

In the title complex, [Ir(C10H15)Cl2(C6H7N5)]·CH2Cl2 or [Ir(η5-C5Me5)Cl2(9-MeAde-κN 7)]·CH2Cl2 (9-MeAde = 9-methyladenine), the coordination geometry of the IrIII atom approximates to a three-legged piano stool. The 9-methyladenine ligand is coordinated in a monodentate fashion to the Ir centre through its N-7 atom. The crystal structure contains centrosymmetric pairs of molecules, interacting through two N—H⋯N hydrogen bonds. An intramolecular N—H⋯Cl hydrogen bond is formed between the H atom of an NH2 group and a chlorido ligand. Further short intra- and intermolecular C—H⋯Cl contacts are observed.

[1]  A. Houlton.  New aspects of metal-nucleobase chemistry , 2002 .

[2]  C. Wagner,et al.  Structure and characterization of platinum(II) and platinum(IV) complexes with protonated nucleobase ligands , 2008 .

[3]  Bernhard Lippert,et al.  Multiplicity of metal ion binding patterns to nucleobases , 2000 .

[4]  T. Kistenmacher,et al.  A refinement of the crystal structure of 9-methyladenine , 1977 .

[5]  I. Pálinkó,et al.  The C-H...Cl hydrogen bond: Does it exist? , 1999 .

[6]  C. Wagner,et al.  Protonated nucleobase ligands: synthesis, structure and characterization of 9-methyladeninium hexachloroplatinate and pentachloro(9-methyladeninium)platinum(IV). , 2004, Journal of inorganic biochemistry.

[7]  G. G. Stokes.  "J." , 1890, The New Yale Book of Quotations.

[8]  Professor Dr. George A. Jeffrey,et al.  Hydrogen Bonding in Biological Structures , 1991, Springer Berlin Heidelberg.

[9]  G. Sheldrick.  A short history of SHELX. , 2008, Acta crystallographica. Section A, Foundations of crystallography.

[10]  R. Kluge,et al.  Synthesis, characterization, and structure of [[PtMe(3)(9-MeA)](3)] (9-MeAH = 9-Methyladenine): a cyclic trimeric platinum(IV) complex with a nucleobase. , 2002, Inorganic chemistry.

[11]  H. Kisch,et al.  Weak M–H⋅⋅⋅H–C and M–Cl⋅⋅⋅H–C Interactions in Orthometalated Iridium and Rhodium Complexes , 1998 .

[12]  O. Baldovino-Pantaleón,et al.  Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings in trans-[PdCl2(NH2ArF)2] , 2007 .

[13]  B. Craven,et al.  The neutron crystal structure of 9‐methyladenine at 126 K , 1980 .