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Volume 69 
Part 10 
Page m567  
October 2013  

Received 17 September 2013
Accepted 21 September 2013
Online 28 September 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.041
wR = 0.111
Data-to-parameter ratio = 17.8
Details
Open access

Pyridinium trans-diaquabis[oxalato(2-)-[kappa]2O1,O2]chromate(III) urea monosolvate

aDepartment of Chemistry, Higher Teacher Training College, University of Yaounde I, POB 47, Cameroon,bDepartement of Inorganic Chemistry, University of Yaounde I, POB 812 Yaounde, Cameroon, and cInstitut für Anorganische Chemie, RWTH Aachen, D-52056 Aachen, Germany
Correspondence e-mail: gouetbeb@yahoo.fr

The asymmetric unit of the title solvated molecular salt, (C5H6N)[Cr(C2O4)2(H2O)2]·CO(NH2)2, contains half a formula unit. Each component is completed by crystallographic twofold symmetry: in the cation, one C and the N atom lie on the rotation axis; in the anion, the CrIII ion lies on the axis; in the solvent molecule, the C and the O atom lie on the axis. The aqua ligands are in a trans disposition in the resulting CrO6 octahedron. In the crystal, the components are linked by O-H...O, N-H...O and N-H...(O,O) hydrogen bonds, generating a three-dimensional network.

Related literature

For molecular salts containing the [Cr(C2O4)2(H2O)2]- anion, see: Bélombé et al. (2009[Bélombé, M. M., Nenwa, J. & Emmerling, F. (2009). Z. Kristallogr. New Cryst. Struct. 224, 239-240.]); Nenwa et al. (2010[Nenwa, J., Belombe, M. M., Ngoune, J. & Fokwa, B. P. T. (2010). Acta Cryst. E66, m1410.], 2012[Nenwa, J., Bebga, G., Martin, S., Bélombé, M. M., Mbarki, M. & Fokwa, B. P. T. (2012). Acta Cryst. E68, m1325-m1326.]); Chérif et al. (2011[Chérif, I., Abdelhak, J., Zid, M. F. & Driss, A. (2011). Acta Cryst. E67, m1648-m1649.]); Chérif, Zid et al. (2012[Chérif, I., Zid, M. F., El-Ghozzi, M. & Avignant, D. (2012). Acta Cryst. E68, m900-m901.]); Chérif, Abdelhak et al. (2012[Chérif, I., Abdelhak, J., Zid, M. F. & Driss, A. (2012). Acta Cryst. E68, m824-m825.]); Dridi et al. (2013[Dridi, R., Namouchi Cherni, S., Zid, M. F. & Driss, A. (2013). Acta Cryst. E69, m489-m490.]).

[Scheme 1]

Experimental

Crystal data
  • (C5H6N)[Cr(C2O4)2(H2O)2]·CH4N2O

  • Mr = 404.24

  • Monoclinic, I 2/a

  • a = 7.6456 (7) Å

  • b = 21.4096 (18) Å

  • c = 9.7404 (12) Å

  • [beta] = 100.278 (1)°

  • V = 1568.8 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.80 mm-1

  • T = 293 K

  • 0.20 × 0.16 × 0.13 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.851, Tmax = 0.935

  • 11770 measured reflections

  • 2343 independent reflections

  • 1980 reflections with I > 2[sigma](I)

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.041

  • wR(F2) = 0.111

  • S = 1.10

  • 2343 reflections

  • 132 parameters

  • 5 restraints

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

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.56 e Å-3

Table 1
Selected bond lengths (Å)

Cr4-O2 1.9436 (12)
Cr4-O3 1.9762 (12)
Cr4-O1 1.9955 (14)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...O4i 0.86 2.26 2.979 (3) 142
N1-H1...O4ii 0.86 2.26 2.979 (3) 142
N2-H2A...O4iii 0.82 (2) 2.36 (2) 3.134 (2) 158 (3)
N2-H2B...O5iv 0.79 (2) 2.08 (2) 2.847 (2) 166 (3)
O1-H1B...O3iii 0.81 (2) 1.91 (2) 2.7135 (18) 174 (3)
O1-H1A...O6 0.81 (2) 1.79 (2) 2.5910 (16) 176 (3)
Symmetry codes: (i) -x+1, -y+1, -z; (ii) [x+{\script{1\over 2}}, -y+1, z]; (iii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z-{\script{1\over 2}}]; (iv) -x+1, -y, -z.

Data collection: SMART (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. 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: DIAMOND (Brandenburg, 2010[Brandenburg, K. (2010). 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: HB7141 ).


Acknowledgements

The authors thank Tobias Storp (RWTH Aachen) for his technical support during the X-ray experiments.

References

Bélombé, M. M., Nenwa, J. & Emmerling, F. (2009). Z. Kristallogr. New Cryst. Struct. 224, 239-240.
Brandenburg, K. (2010). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chérif, I., Abdelhak, J., Zid, M. F. & Driss, A. (2011). Acta Cryst. E67, m1648-m1649.  [CSD] [CrossRef] [IUCr Journals]
Chérif, I., Abdelhak, J., Zid, M. F. & Driss, A. (2012). Acta Cryst. E68, m824-m825.  [CSD] [CrossRef] [IUCr Journals]
Chérif, I., Zid, M. F., El-Ghozzi, M. & Avignant, D. (2012). Acta Cryst. E68, m900-m901.  [CSD] [CrossRef] [IUCr Journals]
Dridi, R., Namouchi Cherni, S., Zid, M. F. & Driss, A. (2013). Acta Cryst. E69, m489-m490.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Nenwa, J., Bebga, G., Martin, S., Bélombé, M. M., Mbarki, M. & Fokwa, B. P. T. (2012). Acta Cryst. E68, m1325-m1326.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Nenwa, J., Belombe, M. M., Ngoune, J. & Fokwa, B. P. T. (2010). Acta Cryst. E66, m1410.  [CSD] [CrossRef] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m567  [ doi:10.1107/S1600536813026135 ]

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