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Volume 69 
Part 9 
Page m481  
September 2013  

Received 17 July 2013
Accepted 1 August 2013
Online 10 August 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.002 Å
R = 0.025
wR = 0.068
Data-to-parameter ratio = 14.0
Details
Open access

Diaquatetrakis(1H-imidazole-[kappa]N3)magnesium dichloride

aDepartment of Physics, Kunthavai Naachiar Government Arts College (W) (Autonomous), Thanjavur-7, India, and bLaboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna, Tunisia
Correspondence e-mail: vasuki.arasi@yahoo.com

In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the MgII cation lies on a crystallographic inversion centre and is coordinated by two water molecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octahedral stereochemistry. In the crystal, water O-H...Cl and imidazole N-H...Cl hydrogen bonds give rise to a three-dimensional structure.

Related literature

For a similar structure, see: Reiss et al. (2011[Reiss, G. J., Boldog, I. & Janiak, C. (2011). Acta Cryst. E67, m1109-m1110.]).

[Scheme 1]

Experimental

Crystal data
  • [Mg(C3H3N2)4(H2O)2]Cl2

  • Mr = 403.57

  • Monoclinic, C 2/c

  • a = 12.3826 (6) Å

  • b = 11.0048 (4) Å

  • c = 14.4485 (6) Å

  • [beta] = 107.037 (1)°

  • V = 1882.47 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.40 mm-1

  • T = 296 K

  • 0.30 × 0.25 × 0.20 mm

Data collection
  • Bruker Kappa APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1999[Bruker (1999). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.889, Tmax = 0.924

  • 8496 measured reflections

  • 1854 independent reflections

  • 1695 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.068

  • S = 1.05

  • 1854 reflections

  • 132 parameters

  • 4 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.17 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Table 1
Selected bond lengths (Å)

Mg1-N1 2.2281 (10)
Mg1-N3 2.1611 (10)
Mg1-O1 2.0923 (9)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1W...Cl1i 0.84 (1) 2.30 (1) 3.1361 (9) 172 (2)
O1-H2W...Cl1 0.84 (1) 2.30 (1) 3.1337 (10) 176 (2)
N2-H2A...Cl1ii 0.89 (1) 2.47 (1) 3.3165 (12) 160 (2)
N4-H4A...Cl1iii 0.89 (1) 2.43 (1) 3.2585 (13) 155 (2)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) [x, -y+1, z-{\script{1\over 2}}]; (iii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1].

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2 and SAINT (Bruker, 2004[Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2004[Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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.]); software used to prepare material for publication: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2271 ).


Acknowledgements

The authors thank the Sophisticated Analytical Instrument Facility, IIT-Madras, Chennai, for the data collection.

References

Bruker (1999). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Reiss, G. J., Boldog, I. & Janiak, C. (2011). Acta Cryst. E67, m1109-m1110.  [CSD] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m481  [ doi:10.1107/S1600536813021478 ]

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