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Volume 69 
Part 1 
Page m49  
January 2013  

Received 3 December 2012
Accepted 7 December 2012
Online 12 December 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.015 Å
R = 0.057
wR = 0.127
Data-to-parameter ratio = 18.1
Details
Open access

Dibromido(2,9-dimethyl-1,10-phenanthroline-[kappa]2N,N')(dimethyl sulfoxide-[kappa]O)cadmium

aDepartment of Chemistry, North Tehran Branch, Islamic Azad University, Tehran, Iran
Correspondence e-mail: k_moghanlou@yahoo.com

In the molecule of the title compound, [CdBr2(C14H12N2)(C2H6OS)], the CdII atom is five-coordinated in a distorted trigonal-bipyramidal configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, one O atom from a dimethyl sulfoxide ligand and two Br atoms. In the crystal, [pi]-[pi] contacts between the pyridine and benzene rings [centroid-centroid distances = 3.710 (5), 3.711 (6) and 3.627 (5) Å] stabilize the structure.

Related literature

For related structures, see: Akbarzadeh Torbati et al. (2010[Akbarzadeh Torbati, N., Rezvani, A. R., Safari, N., Saravani, H. & Amani, V. (2010). Acta Cryst. E66, m1284.]); Alizadeh et al. (2009[Alizadeh, R., Heidari, A., Ahmadi, R. & Amani, V. (2009). Acta Cryst. E65, m483-m484.]); Armentano et al. (2006[Armentano, D., Munno, G. D., Guerra, F., Julve, M. & Lloret, F. (2006). Inorg. Chem. 45, 4626-4636.]); Ding et al. (2006[Ding, C.-F., Miao, Y.-F., Tian, B.-Q., Li, X.-M. & Zhang, S.-S. (2006). Acta Cryst. E62, m1062-m1063.]); Fanizzi et al. (1991[Fanizzi, F. P., Intini, F. P., Maresca, L., Natile, G., Lanfranchi, M. & Tiripicchio, A. (1991). J. Chem. Soc. Dalton Trans. pp. 1007-1015.]); Lemoine et al. (2003[Lemoine, P., Viossat, B. & Daran, J.-C. (2003). Acta Cryst. E59, m17-m19.]); Robinson & Sinn (1975[Robinson, W. T. & Sinn, E. (1975). J. Chem. Soc. Dalton Trans. pp. 726-731.]).

[Scheme 1]

Experimental

Crystal data
  • [CdBr2(C14H12N2)(C2H6OS)]

  • Mr = 558.60

  • Monoclinic, P 21 /c

  • a = 8.1468 (9) Å

  • b = 17.3814 (15) Å

  • c = 13.6369 (13) Å

  • [beta] = 95.724 (9)°

  • V = 1921.4 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.42 mm-1

  • T = 298 K

  • 0.42 × 0.22 × 0.17 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.222, Tmax = 0.325

  • 15831 measured reflections

  • 3766 independent reflections

  • 2196 reflections with I > 2[sigma](I)

  • Rint = 0.108

Refinement
  • R[F2 > 2[sigma](F2)] = 0.057

  • wR(F2) = 0.127

  • S = 0.94

  • 3766 reflections

  • 208 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.02 e Å-3

  • [Delta][rho]min = -1.06 e Å-3

Table 1
Selected bond lengths (Å)

Cd1-N1 2.386 (6)
Cd1-N2 2.331 (6)
Cd1-O1 2.361 (6)
Cd1-Br1 2.5483 (11)
Cd1-Br2 2.6335 (11)

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: 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: ORTEP-3 (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2608 ).


Acknowledgements

The author thanks the Graduate Study Councils of the Islamic Azad University, North Tehran Branch, for financial support.

References

Akbarzadeh Torbati, N., Rezvani, A. R., Safari, N., Saravani, H. & Amani, V. (2010). Acta Cryst. E66, m1284.  [CSD] [CrossRef] [details]
Alizadeh, R., Heidari, A., Ahmadi, R. & Amani, V. (2009). Acta Cryst. E65, m483-m484.  [CSD] [CrossRef] [details]
Armentano, D., Munno, G. D., Guerra, F., Julve, M. & Lloret, F. (2006). Inorg. Chem. 45, 4626-4636.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Ding, C.-F., Miao, Y.-F., Tian, B.-Q., Li, X.-M. & Zhang, S.-S. (2006). Acta Cryst. E62, m1062-m1063.  [CSD] [CrossRef] [details]
Fanizzi, F. P., Intini, F. P., Maresca, L., Natile, G., Lanfranchi, M. & Tiripicchio, A. (1991). J. Chem. Soc. Dalton Trans. pp. 1007-1015.  [CrossRef]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Lemoine, P., Viossat, B. & Daran, J.-C. (2003). Acta Cryst. E59, m17-m19.  [CSD] [CrossRef] [details]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Robinson, W. T. & Sinn, E. (1975). J. Chem. Soc. Dalton Trans. pp. 726-731.  [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m49  [ doi:10.1107/S1600536812050106 ]

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