title: Modeling novel radiopharmaceuticals: mono-C6-substituted PnAO ligands (PnAO = 3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioxime).
abstract: The solid-state behavior of six novel 6-substituted PnAO (propylene amine oxime) complexes (6-11) involving Tc(V), Co(III), and Cu(II) salts is reported. Each of the Tc complexes 6-8 has the C6-substituent located equatorially in a six-membered chelate ring involving a Tc=O unit which has the expected boat geometry. The C6-substituent therefore has little effect on the conformational behavior of the PnAO complex and thus provides an attractive site for further modification. The Co(III) complex 9 has the expected octahedral geometry, while the Cu(II) complexes 10 and 11 form square-based pyramids capped by water molecules. One Cu(II) system (10) contains two unique complexes in the asymmetric unit which are associated via multiple hydrogen bonds to a BF(4) anion, the remaining BF(4) anion being loosely hydrogen bonded to a coordinating water molecule. The cobalt and copper complexes 9-11 each exhibit a chair conformation for the six-membered chelate ring.
authors.affiliation: School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, England.
authors.forename: Paul S
authors.initials: PS
authors.lastname: Walker
authors.forename: Paul M
authors.initials: PM
authors.lastname: Bergin
authors.forename: Martin C
authors.initials: MC
authors.lastname: Grossel
authors.forename: Peter N
authors.initials: PN
authors.lastname: Horton
mesh_terms: D018360:Crystallography, X-Ray; D007202:Indicators and Reagents; D008024:Ligands; D008968:Molecular Conformation; D015394:Molecular Structure; D015609:Organotechnetium Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D010091:Oximes / Q000138:chemical synthesis / Q000737:chemistry*; D019275:Radiopharmaceuticals / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D007202:Indicators and Reagents; D008024:Ligands; D015609:Organotechnetium Compounds; D010091:Oximes; D019275:Radiopharmaceuticals