title: Binding of 9-methylguanine to [cis-Ru(2,2'-bpy)2]2+: First X-ray structure of a cis-bis purine complex of ruthenium.
abstract: Reaction of [cis-Ru(2,2'-bpy)2(O3SCF3)2] (1) with 9-methylguanine (9-MeG) affords the cis-[Ru(2,2'-bpy)2(9-MeG)2]2+ complex (2) in good yield. Two bases bind to the metal center via the N7 atoms. X-ray structure analysis of 2(SO3CF3)2 (monoclinic, P2(1)/n, a = 12.5159(6) A, b = 20.0904(13) A, c = 17.1202(9) A, beta = 98.981(6) degrees, V = 4252.1(4) A(3), Z = 4) reveals that the two bases are in a head-to-tail (HT) orientation with base-base dihedral angle of 60.4 degrees. NMR studies confirm that the complex is stable in water for hours, and no evidence for guanine substitution by solvent molecules was found.
authors.affiliation: Institute of Inorganic Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.
authors.forename: Fabio
authors.initials: F
authors.lastname: Zobi
authors.forename: Michael
authors.initials: M
authors.lastname: Hohl
authors.forename: Iwan
authors.initials: I
authors.lastname: Zimmermann
authors.forename: Roger
authors.initials: R
authors.lastname: Alberto
mesh_terms: D018360:Crystallography, X-Ray; D006147:Guanine / Q000031:analogs & derivatives* / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D009942:Organometallic Compounds / Q000138:chemical synthesis*; D012428:Ruthenium / Q000737:chemistry*; D013237:Stereoisomerism
chemical_list: D009942:Organometallic Compounds; C116701:9-methylguanine; D006147:Guanine; D012428:Ruthenium