(Carbonato-κ2O,O′)bis­(5,5′-dimethyl-2,2′-bipyridyl-κ2N,N′)cobalt(III) bromide trihydrate

Arun Kumar, K.; Meera, P.; Amutha Selvi, M.; Dayalan, A.

doi:10.1107/S160053681200894X

Volume 68
Part 4
Pages m383-m384
April 2012

Received 4 February 2012
Accepted 29 February 2012
Online 7 March 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
H completeness 81%
Disorder in solvent or counterion
R = 0.046
wR = 0.145
Data-to-parameter ratio = 14.5
Details

(Carbonato-²O,O')bis(5,5'-dimethyl-2,2'-bipyridyl-²N,N')cobalt(III) bromide trihydrate

Kannan Arun Kumar,^a Parthsarathi Meera,^a Madhavan Amutha Selvi ^a and Arunachalam Dayalan ^a ^*

^aDepartment of Chemistry, Loyola College (Autonomous), Chennai 600 034, India
Correspondence e-mail: dayalan77@gmail.com

In the title complex, [Co(CO₃)(C₁₂H₁₂N₂)₂]Br·3H₂O, the Co^III cation has a distorted octahedral coordination environment. It is chelated by four N atoms of two different 5,5'-dimethyl-2,2'-bipyridyl (dmbpy) ligands in axial and equatorial positions, and by two O atoms of a carbonate anion completing the equatorial positions. Although the water molecules are disordered and their H atoms were not located, there are typical OO distances between 2.8 and 3.0 Å, indicating O-HO hydrogen bonding. The crystal packing is consolidated by C-HO and C-HBr hydrogen bonds, as well as [pi] - [pi] stacking interactions between adjacent pyridine rings of the dmbpy ligands, with centroid-centroid distances of 3.694 (3) and 3.7053 (3) Å.

Related literature

For background to this class of compounds, see: Momeni et al. (2009); Harding et al. (2008); Kusrini et al. (2008). For applications of this class of compounds in various fields, see: Carol et al. (2006); Eddie et al. (2010); Raj et al. (2008); Vitushkina et al. (2006); Hyung et al. (2006); Jayaweera et al. (2002), Shi et al. (2010); For similar structures, see: Ma et al. (2008); Phatchimkun & Chaichit (2011).

Experimental

Crystal data

[Co(CO₃)(C₁₂H₁₂N₂)₂]Br·3H₂O
M_r = 621.32
Monoclinic, P 2₁ /c
a = 11.5802 (15) Å
b = 15.958 (2) Å
c = 14.3921 (17) Å
= 100.143 (3)°
V = 2618.0 (6) Å³
Z = 4
Mo K radiation
= 2.23 mm^-1
T = 293 K
0.30 × 0.25 × 0.20 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2004) T_min = 0.555, T_max = 0.664
23769 measured reflections
5033 independent reflections
3111 reflections with I > 2(I)
R_int = 0.048

Refinement

R[F² > 2(F²)] = 0.046
wR(F²) = 0.145
S = 1.02
5033 reflections
346 parameters
H-atom parameters constrained
_max = 0.77 e Å^-3
_min = -1.43 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C1-H1O1	0.93	2.43	2.931 (5)	114
C3-H3Br1ⁱ	0.93	2.80	3.718 (4)	168
C4-H4O1ⁱⁱ	0.93	2.51	3.257 (4)	138
C11-H11ABr1ⁱⁱⁱ	0.96	2.91	3.810 (4)	157
C19-H19O3^iv	0.93	2.52	3.284 (4)	140
C20-H20Br1^iv	0.93	2.85	3.778 (4)	172
C22-H22O3	0.93	2.44	2.939 (4)	113
C23-H23BO4^v	0.96	2.42	3.330 (6)	158
C24-H24ABr1	0.96	2.93	3.836 (5)	158
Symmetry codes: (i) $[x-1, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) $[x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iii) x-1, y, z; (iv) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (v) $[-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and Mercury (Macrae et al., 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2590 ).

Acknowledgements

The authors are thankful to Rev. Dr C. Joe Arun, SJ, Secretary, and Rev. Dr B. Jeyaraj, SJ, Principal, Loyola College (Autonomous), Chennai-34, India, for providing the necessary facilities and the Head, SAIF, IIT Madras, Chennai-36, India, for recording the X-ray data.

References

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