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Volume 69 
Part 12 
Pages m633-m634  
December 2013  

Received 28 October 2013
Accepted 28 October 2013
Online 6 November 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.018 Å
R = 0.053
wR = 0.143
Data-to-parameter ratio = 23.3
Details
Open access

(2-{[4-(Chlorido­mercur­yl)phen­yl]imino­meth­yl}pyridine-[kappa]2N,N')di­iodido­mercury(II) dimethyl sulfoxide monosolvate

aDepartment of Chemistry, North-Eastern Hill University, NEHU Permanent Campus, Umshing, Shillong 793 022, India,bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and cChemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
Correspondence e-mail: edward.tiekink@gmail.com

The title dimethyl sulfoxide solvate, [Hg2(C12H9ClN2)I2]·C2H6OS, features tetra­hedrally and linearly coordinated HgII atoms. The distorted tetrahedral coordination sphere is defined by chelating N atoms that define an acute angle [69.6 (3)°] and two I atoms that form a wide angle [142.80 (4)°]. The linearly coordinated HgII atom [177.0 (4)°] exists with a donor set defined by C and Cl atoms. Secondary inter­actions are apparent in the crystal packing with the tetra­hedrally and linearly coordinated HgII atoms expanding their coordination environments by forming weak Hg...I [3.772 (7) Å] and Hg...O [2.921 (12) Å] inter­actions, respectively. Mercury-containing mol­ecules stack along the a axis, are connected by [pi]-[pi] inter­actions [inter-centroid distance between pyridine and benzene rings = 3.772 (7) Å] and define channels in which the dimethyl sulfoxide mol­ecules reside. The latter are connected by the aforementioned Hg...O inter­actions as well as C-H...I and C-H...O inter­actions, resulting in a three-dimensional architecture.

Related literature

For background to the structural, spectroscopic and biological properties of zinc triad elements with (E)-N-(pyridin-2-yl­methyl­idene)aryl­amine-type ligands, see: Basu Baul, Kundu, Höpfl et al. (2013[Basu Baul, T. S., Kundu, S., Höpfl, H., Tiekink, E. R. T. & Linden, A. (2013). Polyhedron, 55, 270-282.]); Basu Baul, Kundu, Linden et al. (2013[Basu Baul, T. S., Kundu, S., Linden, A., Raviprakash, N., Manna, S. & Guedes da Silva, F. (2013). Dalton Trans. doi:10.1039/c3dt52062e.]); Basu Baul, Kundu, Mitra et al. (2013[Basu Baul, T. S., Kundu, S., Mitra, S., Höpfl, H., Tiekink, E. R. T. & Linden, A. (2013). Dalton Trans. 42, 1905-1920.]).

[Scheme 1]

Experimental

Crystal data
  • [Hg2(C12H9ClN2)I2]·C2H6OS

  • Mr = 949.77

  • Triclinic, [P \overline 1]

  • a = 8.5795 (6) Å

  • b = 9.8373 (7) Å

  • c = 13.6999 (8) Å

  • [alpha] = 70.030 (6)°

  • [beta] = 76.779 (5)°

  • [gamma] = 79.362 (6)°

  • V = 1050.74 (12) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 17.76 mm-1

  • T = 295 K

  • 0.20 × 0.10 × 0.04 mm

Data collection
  • Agilent SuperNova Dual diffractometer with an Atlas detector

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2013[Agilent (2013). CrysAlis PRO. Agilent Technologies Inc., Santa Clara, CA, USA.]) Tmin = 0.358, Tmax = 1.000

  • 12862 measured reflections

  • 4848 independent reflections

  • 3470 reflections with I > 2[sigma](I)

  • Rint = 0.038

Refinement
  • R[F2 > 2[sigma](F2)] = 0.053

  • wR(F2) = 0.143

  • S = 1.03

  • 4848 reflections

  • 208 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 4.40 e Å-3

  • [Delta][rho]min = -1.45 e Å-3

Table 1
Selected bond lengths (Å)

Hg1-I1 2.6581 (11)
Hg1-I2 2.6684 (12)
Hg1-N1 2.395 (9)
Hg1-N2 2.493 (9)
Hg2-Cl1 2.330 (3)
Hg2-C10 2.052 (10)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C8-H8...O1i 0.93 2.54 3.458 (18) 171
C9-H9...Cl1ii 0.93 2.83 3.625 (13) 145
C13-H13C...Cl1iii 0.96 2.83 3.721 (19) 155
Symmetry codes: (i) -x+1, -y, -z+1; (ii) -x+2, -y, -z+1; (iii) -x+2, -y+1, -z+1.

Data collection: CrysAlis PRO (Agilent, 2013[Agilent (2013). CrysAlis PRO. Agilent Technologies Inc., Santa Clara, CA, USA.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5358 ).


Acknowledgements

The financial support of the University Grants Commission, New Delhi, India (F. No. 42-396/2013 (SR) TSBB), is gratefully acknowledged. The authors also thank the Ministry of Higher Education (Malaysia) and the University of Malaya for funding structural studies through the High-Impact Research scheme (UM.C/HIR-MOHE/SC/03).

References

Agilent (2013). CrysAlis PRO. Agilent Technologies Inc., Santa Clara, CA, USA.
Basu Baul, T. S., Kundu, S., Höpfl, H., Tiekink, E. R. T. & Linden, A. (2013). Polyhedron, 55, 270-282.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Basu Baul, T. S., Kundu, S., Linden, A., Raviprakash, N., Manna, S. & Guedes da Silva, F. (2013). Dalton Trans. doi:10.1039/c3dt52062e.
Basu Baul, T. S., Kundu, S., Mitra, S., Höpfl, H., Tiekink, E. R. T. & Linden, A. (2013). Dalton Trans. 42, 1905-1920.  [CSD] [CrossRef] [ChemPort] [PubMed]
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m633-m634   [ doi:10.1107/S1600536813029693 ]

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