trans-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9H-purine-κN 7}platinum(II)

In the title compound, trans-[PtCl2(C15H15ClFN5)2], the PtII atom, located on an inversion centre, is coordinated by the purine N atoms of the 2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9H-purine ligands and two Cl atoms in a slightly distorted trans-square-planar coordination geometry [N—Pt—Cl angles = 89.91 (5) and 90.09 (5)°]. Weak intramolecular N—H⋯Cl contacts occur. In the crystal, C—H⋯Cl and C—H⋯F contacts, as well as weak π–π stacking interactions [centroid–centroid distances = 3.5000 (11) and 3.6495 (12) Å] connect the molecules into a three-dimensional architecture.


Comment
In the title compound, the Pt II atom is located on an inversion centre and thus, the asymmetric unit contains one-half of the described platinum(II) complex ( The molecular structure involves weak N6-H6A···Cl2 intramolecular interactions (Table 1, Fig. 1). In the crystal, the molecules are connected together through weak C13-H13A···Cl2, C18-H18A···F1 and π···π (between the sixmembered pyrimidine and benzene rings) intermolecular interactions into a three-dimensional architecture ( Fig. 2 and 3, Table 1).

Experimental
The solution of 2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9H-purine (0.5 mmol; prepared according to the previously described procedure, (Štarha et al., 2009) in acetone (10 ml) was slowly poured into the distilled water solution of K 2 PtCl 4 (0.25 mmol). The reaction mixture was stirred at laboratory temperature, until the initial orange colour turned to yellow. The solid was collected by filtration and washed with distilled water and acetone. Part of the product was recrystallized from N,N`-dimethylformamide. The crystals suitable for a single-crystal X-ray analysis formed after two weeks. Analysis calculated for C 30 H 30 N 10 Cl 4 F 2 Pt 1 : C 39.8, H 3.3, N 15.5%; found: C 39.9, H 3.3, N 15.3%.
Elemental analysis (C, H, N) was performed on a Thermo Scientific Flash 2000 CHNO-S Analyzer.

Computing details
Data

trans-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9H-purine-κN 7 }platinum(II)
Crystal data where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.52 e Å −3 Δρ min = −0.32 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.