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Volume 68 
Part 12 
Pages m1448-m1449  
December 2012  

Received 26 October 2012
Accepted 29 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.005 Å
R = 0.034
wR = 0.067
Data-to-parameter ratio = 17.2
Details
Open access

Trichlorido(5,5'-dimethyl-2,2'-bipyridine-[kappa]2N,N')(dimethylformamide-[kappa]O)indium(III) hemihydrate

aDepartment of Chemistry, Omidieh Branch, Islamic Azad University, Omidieh, Iran, and bDepartment of Petroleum Engineering, Omidieh Branch, Islamic Azad University, Omidieh, Iran
Correspondence e-mail: sadif_shirvan1@yahoo.com

The asymmetric unit of the title compound, [InCl3(C12H12N2)(C3H7NO)]·0.5H2O, contains two independent InIII complex molecules with similar structures and one lattice water molecule. In each complex molecule, the InIII atom is six-coordinated in a distorted octahedral geometry, formed by two N atoms from the chelating 5,5'-dimethyl-2,2'-bipyridine ligand, one O atom from a dimethylformamide and three facial Cl atoms. In the crystal, the lattice water molecule is linked to the complex molecules via O-H...Cl hydrogen bonds. Further weak C-H...Cl and C-H...O hydrogen bonds result in the formation of a three-dimensional structure.

Related literature

For related structures, see: Albada et al. (2004[Albada, G. A., Mohamadou, A., Mutikainen, I., Turpeinen, U. & Reedijk, J. (2004). Eur. J. Inorg. Chem. pp. 3733-3742.]); Alizadeh et al. (2010[Alizadeh, R., Amani, V., Farshady, A. A. & Khavasi, H. R. (2010). J. Coord. Chem. 63, 2122-2131.]); Amani et al. (2007[Amani, V., Safari, N. & Khavasi, H. R. (2007). Polyhedron, 26, 4257-4262.], 2009[Amani, V., Safari, N., Khavasi, H. R. & Akkurt, M. (2009). Polyhedron, 28, 3026-3030.]); Kalateh et al. (2008[Kalateh, K., Ahmadi, R., Ebadi, A., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1353-m1354.]); Khalighi et al. (2008[Khalighi, A., Ahmadi, R., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1211-m1212.]); Shirvan & Haydari Dezfuli (2012[Shirvan, S. A. & Haydari Dezfuli, S. (2012). Acta Cryst. E68, m846.]); Tadayon Pour et al. (2008[Tadayon Pour, N., Ebadi, A., Abedi, A., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1305.]).

[Scheme 1]

Experimental

Crystal data
  • [InCl3(C12H12N2)(C3H7NO)]·0.5H2O

  • Mr = 487.51

  • Triclinic, [P \overline 1]

  • a = 11.3021 (5) Å

  • b = 11.4445 (5) Å

  • c = 15.0860 (6) Å

  • [alpha] = 91.089 (4)°

  • [beta] = 96.024 (3)°

  • [gamma] = 96.448 (4)°

  • V = 1927.34 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.65 mm-1

  • T = 173 K

  • 0.32 × 0.30 × 0.25 mm

Data collection
  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.601, Tmax = 0.688

  • 15402 measured reflections

  • 7524 independent reflections

  • 6051 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.067

  • S = 1.03

  • 7524 reflections

  • 437 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.57 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

Table 1
Selected bond lengths (Å)

In1-Cl1 2.4185 (9)
In1-Cl2 2.4227 (9)
In1-Cl3 2.4496 (9)
In1-O1 2.267 (2)
In1-N1 2.287 (3)
In1-N2 2.301 (3)
In2-Cl4 2.4737 (9)
In2-Cl5 2.4327 (10)
In2-Cl6 2.4326 (9)
In2-O2 2.202 (3)
In2-N4 2.292 (3)
In2-N5 2.316 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3D...Cl5i 0.84 (3) 2.49 (3) 3.326 (5) 174 (3)
O3-H3E...Cl3ii 0.84 (2) 2.40 (2) 3.183 (5) 156 (3)
C5-H5...Cl4 0.93 2.69 3.620 (3) 175
C8-H8...Cl4 0.93 2.69 3.574 (4) 160
C9-H9...Cl4iii 0.93 2.78 3.657 (3) 158
C20-H20...O3iv 0.93 2.60 3.526 (6) 178
C23-H23...O3iv 0.93 2.49 3.416 (6) 173
Symmetry codes: (i) -x, -y+1, -z; (ii) -x+1, -y+2, -z; (iii) -x+1, -y+1, -z+1; (iv) -x+1, -y+1, -z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5639 ).


Acknowledgements

We are grateful to the Islamic Azad University, Omidieh Branch, for financial support.

References

Albada, G. A., Mohamadou, A., Mutikainen, I., Turpeinen, U. & Reedijk, J. (2004). Eur. J. Inorg. Chem. pp. 3733-3742.
Alizadeh, R., Amani, V., Farshady, A. A. & Khavasi, H. R. (2010). J. Coord. Chem. 63, 2122-2131.  [ISI] [CSD] [CrossRef] [ChemPort]
Amani, V., Safari, N. & Khavasi, H. R. (2007). Polyhedron, 26, 4257-4262.  [ISI] [CSD] [CrossRef] [ChemPort]
Amani, V., Safari, N., Khavasi, H. R. & Akkurt, M. (2009). Polyhedron, 28, 3026-3030.  [ISI] [CSD] [CrossRef] [ChemPort]
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Kalateh, K., Ahmadi, R., Ebadi, A., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1353-m1354.  [CSD] [CrossRef] [details]
Khalighi, A., Ahmadi, R., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1211-m1212.  [CSD] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shirvan, S. A. & Haydari Dezfuli, S. (2012). Acta Cryst. E68, m846.  [CSD] [CrossRef] [details]
Tadayon Pour, N., Ebadi, A., Abedi, A., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1305.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1448-m1449   [ doi:10.1107/S1600536812044698 ]

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