[Journal logo]

Volume 69 
Part 6 
Page m313  
June 2013  

Received 28 April 2013
Accepted 8 May 2013
Online 15 May 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.011 Å
R = 0.047
wR = 0.132
Data-to-parameter ratio = 16.8
Details
Open access

Aquatrimethyl[2-(4-methylpyrimidin-2-ylsulfanyl)acetato-[kappa]O]tin(IV)

aDongcheng College of Liaocheng University, Shandong 252059, People's Republic of China,bCollege of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, People's Republic of China, and cTancheng Middle School, Linyin 276000, People's Republic of China
Correspondence e-mail: zhangjunhong@lcu.edu.cn

In the title compound, [Sn(CH3)3(C7H7N2O2S)(H2O)], the SnIV atom has a distorted trigonal-bipyramidal coordination geometry, with one carboxylate O atom of the 2-(4-methylpyrimidine-2-sulfanyl)acetate ligand and the O atom of a water molecule in axial positions, and three methyl groups in equatorial positions. In the crystal, molecules are linked via O-H...O and O-H...N hydrogen bonds, forming double-stranded chains propagating along [010].

Related literature

For related structures, see: Zhang et al. (2007[Zhang, J.-H., Ma, C.-L. & Zhang, R.-F. (2007). Acta Cryst. E63, m2161.]); Zhu et al. (2011[Zhu, Q. & Zhang, R. (2011). Acta Cryst. E67, m1834.]).

[Scheme 1]

Experimental

Crystal data
  • [Sn(CH3)3(C7H7N2O2S)(H2O)]

  • Mr = 365.01

  • Monoclinic, P 21 /c

  • a = 7.7658 (4) Å

  • b = 11.0901 (4) Å

  • c = 18.8261 (8) Å

  • [beta] = 113.575 (4)°

  • V = 1486.05 (11) Å3

  • Z = 4

  • Cu K[alpha] radiation

  • [mu] = 15.00 mm-1

  • T = 293 K

  • 0.05 × 0.04 × 0.04 mm

Data collection
  • Xcalibur (Eos, Gemini) diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.521, Tmax = 0.585

  • 8393 measured reflections

  • 2666 independent reflections

  • 2151 reflections with I > 2[sigma](I)

  • Rint = 0.059

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.132

  • S = 1.05

  • 2664 reflections

  • 159 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.52 e Å-3

  • [Delta][rho]min = -0.78 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3D...O1i 0.85 2.03 2.798 (6) 149
O3-H3F...N1ii 0.85 2.14 2.884 (7) 146
Symmetry codes: (i) [-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) x, y+1, z.

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2595 ).


Acknowledgements

The authors thank the Liaocheng University Foundation (xo9013), the Liaocheng University State Key Laboratory of Crystal Materials (SF2012068), the Project of Shandong Provincial Education Department (J12LD13) and Liaocheng University Funds (31805) for Young Scientists for financial support.

References

Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Zhang, J.-H., Ma, C.-L. & Zhang, R.-F. (2007). Acta Cryst. E63, m2161.  [CSD] [CrossRef] [details]
Zhu, Q. & Zhang, R. (2011). Acta Cryst. E67, m1834.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m313  [ doi:10.1107/S1600536813012622 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.