Crystal and Molecular Structure of Dichlorobis(1-methylcytosine)palladium(II)
The title complex was synthesized and its structure determined by three-dimensional x-ray crystallography using counter methods. Crystal data for dichlorobis(1-methylcytosine)palladium(II), Pd(cyt) 2Cl 2, includes the following: space group P1; Z = 1; a = 6.831 (2), b = 7.377 (2), c = 8.824 (1) Å; α = 117.94 (1), β = 105.34 (2), γ = 90.95 (2)°; V = 374 Å 3; R = 2.0%; 1141 reflections. The palladium atom is located at the inversion center of the cell. The 1-methylcytosine ligands are coordinated via the unsubstituted ring nitrogen atom which has been deprotonated. The ligand environment about the palladium atom is strictly planar, with Cl-Pd-Cl and N-Pd-N linear, due to the crystallographically imposed inversion center. There is a weak intramolecular hydrogen contact, between the palladium and one hydrogen atom of each cytosine group, to complete a very distorted octahedron about the metal. The other amino hydrogen atom of each group is linked to the carbonyl oxygen of an adjacent molecule via a weak hydrogen bond. Thus the crystal structure consists of parallel infinite chains of hydrogen bonded molecules.
E. Sinn et al., "Crystal and Molecular Structure of Dichlorobis(1-methylcytosine)palladium(II)," Inorganic Chemistry, American Chemical Society (ACS), Jan 1977.
The definitive version is available at https://doi.org/10.1021/ic50175a048
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