[Journal logo]

Volume 67 
Part 5 
Pages m529-m530  
May 2011  

Received 7 March 2011
Accepted 25 March 2011
Online 7 April 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.041
wR = 0.103
Data-to-parameter ratio = 15.9
Details
Open access

Yttrium ethylenediammonium squarate tetrahydrate

aFaculté des Sciences et Technologie et Sciences de la Matière, Université Kasdi Merbah Ouargla, Route Gardaia, Ourgla, Algeria, and bLaboratoire Sciences Chimiques de Rennes (CNRS, UMR 6226), Université de Rennes 1, Avenue du Général Leclerc, 35042 Rennes Cedex, France
Correspondence e-mail: louizazenkhri@yahoo.fr

The title compound, {(C2H10N2)1.5[Y(C4O4)3(H2O)4]}n {systematic name: catena-poly[sesqui(ethylenediammonium) [[tetraaquabis(squarato-[kappa]O)yttrium(III)]-[mu]-squarato-[kappa]2O:O']]}, was synthesized by slow evaporation of an acid solution. The asymetric unit contains one yttrium cation in an antiprismatic environnement, three squarate groups, one and a half protonated ethylenediamine molecules and four water molecules. YO8 polyhedra are connected through bis(monodentate) squarates, leading to infinite zigzag chains, in between which are located ammonium groups. A framework of hydrogen bonds between protonated amine N atoms, water molecules and squarate anions ensures the cohesion of the structure.

Related literature

For a related structure, see: Kazerouni et al. (1994)[Kazerouni, M. R., Hedberg, L. & Hedberg, K. (1994). J. Am. Chem. Soc. 116, 5279-5284.]. The title compound was obtained together with two polymorphs of (C2H10N2)(HC4O4)2(H2O) (Mathew et al., 2002[Mathew, S., Paul, G., Shivasankar, K., Choudhury, A. & Rao, C. N. R. (2002). J. Mol. Struct. 641, 263-279.]; Zenkhri et al., 2011)[Zenkhri, L., Bataille, T. & Audebrand, N. (2011). Acta Cryst. E67, o1118.]. For related yttrium squarates with potassium, see: Mahé & Bataille (2004[Mahé, N. & Bataille, T. (2004). Inorg. Chem. 43, 8379-8386.]).

[Scheme 1]

Experimental

Crystal data
  • (C2H10N2)1.5[Y(C4O4)3(H2O)4]

  • Mr = 590.27

  • Monoclinic, P 21 /c

  • a = 8.9780 (2) Å

  • b = 13.2864 (3) Å

  • c = 18.3970 (4) Å

  • [beta] = 90.935 (1)°

  • V = 2194.20 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.75 mm-1

  • T = 293 K

  • 0.22 × 0.14 × 0.12 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: analytical (de Meulenaer & Tompa, 1965)[Meulenaer, J. de & Tompa, H. (1965). Acta Cryst. 19, 1014-1018.] Tmin = 0.583, Tmax = 0.734

  • 23285 measured reflections

  • 5016 independent reflections

  • 4140 reflections with I > 2[sigma](I)

  • Rint = 0.065

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

  • wR(F2) = 0.103

  • S = 1.10

  • 5016 reflections

  • 316 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.77 e Å-3

  • [Delta][rho]min = -0.62 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H12...O3i 0.87 2.21 3.027 (4) 157
N1-H12...O9ii 0.87 2.36 2.929 (4) 123
N1-H11...O4i 0.87 2.36 2.995 (4) 131
N1-H11...O7ii 0.87 2.28 2.987 (4) 138
N1-H13...O6ii 0.87 2.36 2.970 (4) 127
N1-H13...O12ii 0.87 2.26 3.032 (4) 148
N2-H23...O2 0.85 1.87 2.707 (4) 167
N2-H21...O4i 0.96 1.92 2.832 (4) 159
N2-H21...O7ii 0.96 2.46 2.952 (4) 112
N2-H22...O5iii 0.95 2.01 2.929 (4) 163
N3-H31...O4 0.87 2.22 2.843 (4) 129
N3-H32...O8iv 0.87 2.18 2.788 (4) 127
N3-H33...OW1v 0.87 2.40 2.997 (4) 126
OW1-H911...O11v 0.94 1.74 2.676 (3) 175
OW1-H912...O5 0.93 1.78 2.687 (3) 166
OW2-H922...O11 0.94 1.95 2.885 (4) 173
OW2-H921...O10v 0.94 1.79 2.726 (3) 179
OW3-H931...O8vi 0.93 1.94 2.857 (4) 172
OW3-H932...O1i 0.94 2.04 2.954 (5) 163
OW4-H942...O5vi 0.92 1.86 2.779 (3) 172
OW4-H941...O10vii 0.93 1.86 2.761 (4) 163
Symmetry codes: (i) -x+1, -y, -z+2; (ii) [x-1, -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-{\script{1\over 2}}, z+{\script{1\over 2}}]; (v) [-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (vi) [-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (vii) [-x+2, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT, Nonius BV, Delft, The Netherlands.]); cell refinement: DIRAX/LSQ (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]); data reduction: EVALCCD (Duisenberg et al., 2003[Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M. (2003). J. Appl. Cryst. 36, 220-229.]); program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg & Berndt, 2001[Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX publication routines (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RU2003 ).


Acknowledgements

Grateful thanks are expressed to Dr T. Roisnel (Centre de Diffractométrie X, UMR CNRS 6226) for his assistance with the data collection.

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [ISI] [CrossRef] [ChemPort] [details]
Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [ISI] [details]
Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M. (2003). J. Appl. Cryst. 36, 220-229.  [ISI] [CrossRef] [ChemPort] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Kazerouni, M. R., Hedberg, L. & Hedberg, K. (1994). J. Am. Chem. Soc. 116, 5279-5284.  [ChemPort]
Mahé, N. & Bataille, T. (2004). Inorg. Chem. 43, 8379-8386.  [ISI] [PubMed]
Mathew, S., Paul, G., Shivasankar, K., Choudhury, A. & Rao, C. N. R. (2002). J. Mol. Struct. 641, 263-279.  [ISI] [CSD] [CrossRef] [ChemPort]
Meulenaer, J. de & Tompa, H. (1965). Acta Cryst. 19, 1014-1018.  [CrossRef] [details]
Nonius (2000). COLLECT, Nonius BV, Delft, The Netherlands.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zenkhri, L., Bataille, T. & Audebrand, N. (2011). Acta Cryst. E67, o1118.  [CrossRef] [details]


Acta Cryst (2011). E67, m529-m530   [ doi:10.1107/S1600536811011251 ]

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.