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Volume 69 
Part 11 
Page m572  
November 2013  

Received 16 September 2013
Accepted 24 September 2013
Online 2 October 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.047
wR = 0.112
Data-to-parameter ratio = 35.4
Details
Open access

Bis(2-meth­oxy­benzyl­ammonium) di­aqua­bis­(di­hydrogen diphosphato-[kappa]2O,O')manganate(II) dihydrate

aLaboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte, Tunisia
Correspondence e-mail: mohamedrzaigui@yahoo.fr

The asymmetric unit of the title compound, (C8H12NO)2[Mn(H2P2O7)2(H2O)2]·2H2O, consists of half an MnII complex anion, a 2-meth­oxy­benyl­ammonium cation and a solvent water mol­ecule. The MnII complex anion lies across an inversion center, and has a slightly distorted octa­hedral coordination environment for the MnII ion, formed by two bidentate dihydrogendiphosphate ligands and two water mol­ecules. In the crystal, the components are linked by O-H...O and N-H...O hydrogen bonds, forming layers parallel to (100). An intra­molecular N-H...O hydrogen bond is also observed.

Related literature

For related structures, see: Alaoui Tahiri et al. (2003[Alaoui Tahiri, A., Ouarsal, R., Lachkar, M., Zavalij, P. Y. & El Bali, B. (2003). Acta Cryst. E59, i68-i69.]); Selmi et al. (2006[Selmi, A., Akriche, S. & Rzaigui, M. (2006). Anal. Sci. 22, x135-x136.], 2009[Selmi, A., Akriche, S. & Rzaigui, M. (2009). Acta Cryst. E65, m1487.]); Ahmed et al. (2006[Ahmed, S., Samah, A. & Mohamed, R. (2006). Acta Cryst. E62, m1796-m1798.]); Gharbi et al. (1994[Gharbi, A., Jouini, A., Averbuch-Pouchot, M. T. & Durif, A. (1994). J. Solid State Chem. 111, 330-337.]); Gharbi & Jouini (2004[Gharbi, A. & Jouini, A. (2004). J. Chem. Crystallogr. 34, 11-13.]); Elboulali et al. (2013[Elboulali, A., Akriche, S., Al-Deyab, S. S. & Rzaigui, M. (2013). Acta Cryst. E69, o213-o214.]). For valence-sum calculations, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

[Scheme 1]

Experimental

Crystal data
  • (C8H12NO)2[Mn(H2P2O7)2(H2O)2]·2H2O

  • Mr = 755.29

  • Monoclinic, P 21 /c

  • a = 13.971 (2) Å

  • b = 12.150 (3) Å

  • c = 9.169 (2) Å

  • [beta] = 93.80 (4)°

  • V = 1553.0 (6) Å3

  • Z = 2

  • Ag K[alpha] radiation

  • [lambda] = 0.56087 Å

  • [mu] = 0.37 mm-1

  • T = 293 K

  • 0.3 × 0.2 × 0.1 mm

Data collection
  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.920, Tmax = 0.933

  • 9935 measured reflections

  • 7513 independent reflections

  • 4417 reflections with I > 2[sigma](I)

  • Rint = 0.028

  • 2 standard reflections every 120 min intensity decay: -1%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.112

  • S = 0.98

  • 7513 reflections

  • 212 parameters

  • 6 restraints

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

  • [Delta][rho]max = 0.98 e Å-3

  • [Delta][rho]min = -0.45 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1O1...O3i 0.82 1.77 2.5689 (17) 164
O5-H5O5...O7ii 0.82 1.76 2.5711 (18) 169
O1W-H1W1...O3iii 0.86 (1) 1.98 (1) 2.8304 (19) 174 (3)
O1W-H2W1...O7ii 0.85 (1) 2.04 (1) 2.879 (2) 167 (2)
O2W-H1W2...O7iii 0.86 (1) 2.03 (1) 2.886 (2) 175 (3)
O2W-H2W2...O3ii 0.85 (1) 2.05 (1) 2.8842 (19) 164 (2)
N1-H1N1...O2W 0.89 1.97 2.826 (2) 160
N1-H2N1...O6iv 0.89 2.06 2.826 (2) 144
N1-H3N1...O8 0.89 2.45 2.991 (2) 120
N1-H3N1...O2 0.89 2.27 2.957 (2) 134
Symmetry codes: (i) [x, -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+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iv) -x+1, -y+1, -z+1.

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1996[Harms, K. & Wocadlo, S. (1996). XCAD4. University of Marburg, Germany.]); 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 & Putz, 2005[Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5654 ).


References

Ahmed, S., Samah, A. & Mohamed, R. (2006). Acta Cryst. E62, m1796-m1798.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Alaoui Tahiri, A., Ouarsal, R., Lachkar, M., Zavalij, P. Y. & El Bali, B. (2003). Acta Cryst. E59, i68-i69.  [CrossRef] [ChemPort] [IUCr Journals]
Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [IUCr Journals]
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [Web of Science] [IUCr Journals]
Elboulali, A., Akriche, S., Al-Deyab, S. S. & Rzaigui, M. (2013). Acta Cryst. E69, o213-o214.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Gharbi, A. & Jouini, A. (2004). J. Chem. Crystallogr. 34, 11-13.  [Web of Science] [CSD] [CrossRef]
Gharbi, A., Jouini, A., Averbuch-Pouchot, M. T. & Durif, A. (1994). J. Solid State Chem. 111, 330-337.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Harms, K. & Wocadlo, S. (1996). XCAD4. University of Marburg, Germany.
Selmi, A., Akriche, S. & Rzaigui, M. (2006). Anal. Sci. 22, x135-x136.  [ChemPort]
Selmi, A., Akriche, S. & Rzaigui, M. (2009). Acta Cryst. E65, m1487.  [CrossRef] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m572  [ doi:10.1107/S1600536813026366 ]

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