[Journal logo]

Volume 68 
Part 12 
Page m1552  
December 2012  

Received 2 November 2012
Accepted 22 November 2012
Online 28 November 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.011 Å
R = 0.040
wR = 0.097
Data-to-parameter ratio = 16.5
Details
Open access

trans-Tris(4-bromophenyl)dichloridoantimony(V)

aCollege of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China
Correspondence e-mail: jchcui@163.com

The SbV atom in the title compound, [SbCl2(C6H4Br)3], has an almost regular trigonal-bipyramidal geometry with the equatorial plane made up of three C atoms of the bromophenyl groups and the axial positions occupied by two Cl- ions in a trans configuration. In the crystal, C-H...Br hydrogen bonds link the molecules into zigzag chains along the b-axis direction. Pairs of C-H...Cl hydrogen bonds further link molecules into cyclic dimers with R22(10) ring motifs, generating a three-dimensional network.

Related literature

For related structures, see: Mahalakshmi et al. (2001[Mahalakshmi, H., Jain, V. K. & Tiekink, E. R. T. (2001). Main Group Met. Chem. pp. 391-392.]); Sharutin et al. (2010[Sharutin, V. V., Senchurin, V. S., Sharutina, O. K. & Chagarova, O. V. (2010). Russ J. Gen. Chem. pp. 1789-1792.]). For hydrogen-bond motifs, see: Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.]).

[Scheme 1]

Experimental

Crystal data
  • [SbCl2(C6H4Br)3]

  • Mr = 660.66

  • Monoclinic, C 2/c

  • a = 15.1050 (13) Å

  • b = 20.124 (2) Å

  • c = 15.1701 (14) Å

  • [beta] = 117.748 (1)°

  • V = 4081.0 (7) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 7.49 mm-1

  • T = 298 K

  • 0.26 × 0.22 × 0.12 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.246, Tmax = 0.467

  • 10608 measured reflections

  • 3582 independent reflections

  • 2159 reflections with I > 2[sigma](I)

  • Rint = 0.060

Refinement
  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.097

  • S = 0.91

  • 3582 reflections

  • 217 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.90 e Å-3

  • [Delta][rho]min = -0.61 e Å-3

Table 1
Selected bond lengths (Å)

Sb1-C1 2.129 (6)
Sb1-C7 2.119 (6)
Sb1-C13 2.132 (7)
Sb1-Cl1 2.4566 (16)
Sb1-Cl2 2.4716 (17)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C2-H2...Cl2i 0.93 2.93 3.723 (7) 144
C17-H17...Br1ii 0.93 2.99 3.900 (9) 167
Symmetry codes: (i) [-x+1, y, -z+{\script{1\over 2}}]; (ii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5279 ).


Acknowledgements

We acknowledge the National Natural Foundation of China (21105042), the National Basic Research Program (No. 2010CB234601) and the Natural Science Foundation of Shandong Province (ZR2011BM007, ZR2010BQ021) for financial support.

References

Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.  [CrossRef] [ChemPort] [ISI]
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [ISI] [CrossRef] [ChemPort] [details]
Mahalakshmi, H., Jain, V. K. & Tiekink, E. R. T. (2001). Main Group Met. Chem. pp. 391-392.
Sharutin, V. V., Senchurin, V. S., Sharutina, O. K. & Chagarova, O. V. (2010). Russ J. Gen. Chem. pp. 1789-1792.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1552  [ doi:10.1107/S160053681204809X ]

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.