Trichlorido(5,5′-dimethyl-2,2′-bipyridine-κ2N,N′)(dimethyl­formamide-κO)indium(III) hemihydrate

Shirvan, S.A.; Haydari Dezfuli, S.; Khazali, F.; Aghajeri, M.; Borsalani, A.

doi:10.1107/S1600536812044698

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 (C-C) = 0.005 Å
R = 0.034
wR = 0.067
Data-to-parameter ratio = 17.2
Details

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

Sadif A. Shirvan,^a ^* Sara Haydari Dezfuli,^a Fereydoon Khazali,^a Manouchehr Aghajeri ^a and Ali Borsalani ^b

^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 In^III complex molecules with similar structures and one lattice water molecule. In each complex molecule, the In^III 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-HCl hydrogen bonds. Further weak C-HCl and C-HO hydrogen bonds result in the formation of a three-dimensional structure.

Related literature

For related structures, see: Albada et al. (2004); Alizadeh et al. (2010); Amani et al. (2007, 2009); Kalateh et al. (2008); Khalighi et al. (2008); Shirvan & Haydari Dezfuli (2012); Tadayon Pour et al. (2008).

Experimental

Crystal data

[InCl₃(C₁₂H₁₂N₂)(C₃H₇NO)]·0.5H₂O
M_r = 487.51
Triclinic, $[P \overline 1]$
a = 11.3021 (5) Å
b = 11.4445 (5) Å
c = 15.0860 (6) Å
= 91.089 (4)°
= 96.024 (3)°
= 96.448 (4)°
V = 1927.34 (14) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.601, T_max = 0.688
15402 measured reflections
7524 independent reflections
6051 reflections with I > 2(I)
R_int = 0.036

Refinement

R[F² > 2(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
_max = 0.57 e Å^-3
_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-HA	D-H	HA	DA	D-HA
O3-H3DCl5ⁱ	0.84 (3)	2.49 (3)	3.326 (5)	174 (3)
O3-H3ECl3ⁱⁱ	0.84 (2)	2.40 (2)	3.183 (5)	156 (3)
C5-H5Cl4	0.93	2.69	3.620 (3)	175
C8-H8Cl4	0.93	2.69	3.574 (4)	160
C9-H9Cl4ⁱⁱⁱ	0.93	2.78	3.657 (3)	158
C20-H20O3^iv	0.93	2.60	3.526 (6)	178
C23-H23O3^iv	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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); 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.
Amani, V., Safari, N. & Khavasi, H. R. (2007). Polyhedron, 26, 4257-4262.
Amani, V., Safari, N., Khavasi, H. R. & Akkurt, M. (2009). Polyhedron, 28, 3026-3030.
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.
Khalighi, A., Ahmadi, R., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1211-m1212.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Shirvan, S. A. & Haydari Dezfuli, S. (2012). Acta Cryst. E68, m846.
Tadayon Pour, N., Ebadi, A., Abedi, A., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1305.

metal-organic compounds

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