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Volume 69 
Part 6 
Page m331  
June 2013  

Received 10 April 2013
Accepted 14 May 2013
Online 18 May 2013

Key indicators
Single-crystal X-ray study
T = 105 K
Mean [sigma](C-C) = 0.003 Å
R = 0.015
wR = 0.037
Data-to-parameter ratio = 13.3
Details
Open access

trans-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9H-purine-[kappa]N7}platinum(II)

aDepartment of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic
Correspondence e-mail: zdenek.travnicek@upol.cz

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 [pi]-[pi] stacking interactions [centroid-centroid distances = 3.5000 (11) and 3.6495 (12) Å] connect the molecules into a three-dimensional architecture.

Related literature

For the structures of platinum(II) dichlorido complexes involving different 2-chloro-6-[(substituted-benzyl)amino]-9-isopropyl-9H-purine derivatives, see: Trávnícek et al. (2006[Trávnícek, Z., Marek, J. & Szücová, L. (2006). Acta Cryst. E62, m1482-m1484.]); Szücová et al. (2008[Szücová, L., Trávnícek, Z., Popa, I. & Marek, J. (2008). Polyhedron, 27, 2710-2720.]). For the synthesis of 2-chloro-6-[(substituted-benzyl)amino]-9-isopropyl-9H-purine derivatives, see: Starha et al. (2009[Starha, P., Trávnícek, Z. & Popa, I. (2009). J. Inorg. Biochem. 103, 978-988.]).

[Scheme 1]

Experimental

Crystal data
  • [PtCl2(C15H15ClFN5)2]

  • Mr = 905.53

  • Monoclinic, P 21 /c

  • a = 9.37786 (13) Å

  • b = 12.86530 (17) Å

  • c = 14.2891 (2) Å

  • [beta] = 107.9165 (16)°

  • V = 1640.36 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 4.65 mm-1

  • T = 105 K

  • 0.35 × 0.35 × 0.35 mm

Data collection
  • Agilent Xcalibur Sapphire2 diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies Ltd, Yarnton, England.]) Tmin = 0.293, Tmax = 0.293

  • 13582 measured reflections

  • 2881 independent reflections

  • 2726 reflections with I > 2[sigma](I)

  • Rint = 0.010

Refinement
  • R[F2 > 2[sigma](F2)] = 0.015

  • wR(F2) = 0.037

  • S = 1.10

  • 2881 reflections

  • 216 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.52 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N6-H6A...Cl2i 0.88 2.53 3.222 (2) 136
C13-H13A...Cl2ii 0.95 2.86 3.492 (2) 125
C18-H18A...F1iii 0.98 2.49 3.450 (3) 166
Symmetry codes: (i) -x, -y, -z; (ii) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) -x+1, -y, -z.

Data collection: CrysAlis PRO (Agilent, 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 2011[Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925. ]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JJ2166 ).


Acknowledgements

This work was supported by Palacký University (grant No. PrF_2013_015). The authors wish to thank Mr Tomás Silha for performing the CHN elemental analysis.

References

Agilent (2012). CrysAlis PRO. Agilent Technologies Ltd, Yarnton, England.
Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Starha, P., Trávnícek, Z. & Popa, I. (2009). J. Inorg. Biochem. 103, 978-988.  [ISI] [PubMed]
Szücová, L., Trávnícek, Z., Popa, I. & Marek, J. (2008). Polyhedron, 27, 2710-2720.
Trávnícek, Z., Marek, J. & Szücová, L. (2006). Acta Cryst. E62, m1482-m1484.  [CSD] [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.   [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m331  [ doi:10.1107/S1600536813013202 ]

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