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Volume 68 
Part 11 
Pages m1426-m1427  
November 2012  

Received 22 October 2012
Accepted 24 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](N-C) = 0.002 Å
R = 0.021
wR = 0.051
Data-to-parameter ratio = 33.2
Details
Open access

Poly[([mu]3-hydrogenphosphato)(4H-1,2,4-triazole-[kappa]N1)zinc]

aLaboratoire de Chimie des Matériaux Solides, Faculté des Sciences Ben M'sik Casablanca, Morocco,bLaboratoire de Chimie Organique Catalyse et Environnement, Faculté des Sciences Ben M'sik Casablanca, Morocco,cLaboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Batouta, BP 1014, Rabat, Morocco,dLaboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Batouta, BP 1014, Rabat, Morocco., and eLUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans CEDEX 9, France
Correspondence e-mail: h_aitenneite@yahoo.com

The asymmetric unit of the title compound, [Zn(HPO4)(C2H3N3)]n, contains one Zn2+ cation, one (HPO4)2- anion and a 1,2,4 triazole ligand. The Zn2+ cation is coordinated in a quite regular tetrahedral geometry by O atoms from three phosphate groups and a tertiary N atom from the triazole ring. Each phosphate anion is connected to three ZnII cations, leading to a series of corrugated organic-inorganic layers parallel to the ac plane. The overall structure involves stacking of complex hybrid organic-inorganic layers along the b axis. Cohesion in the crystal is ensured by an infinite three-dimensional network of N-H...O and O-H...O hydrogen bonds between the phosphate groups and the triazole ligands.

Related literature

For background to potential applications of similar compounds, see: Horcajada et al. (2012[Horcajada, P., Gref, R., Baati, T., Allan, P. K., Maurin, G., Couvreur, P., Férey, G., Morris, R. E. & Serre, C. (2012). Chem. Rev. 112, 1232-1268.]); Li et al. (2012[Li, J.-R., Sculley, J. & Zhou, H.-C. (2012). Chem. Rev. 112, 869-932.]); Wang et al. (2012[Wang, C., Zhang, T. & Lin, W. (2012). Chem. Rev. 112, 1084-1104.]); Yoon et al. (2012[Yoon, M., Srirambalaji, R. & Kim, K. (2012). Chem. Rev. 112, 1196-1231.]). For hybrid compounds with zinc phosphates, see: Umeyama et al. (2012[Umeyama, D., Horike, S., Inukai, M., Itakura, T. & Kitagawa, S. (2012). J. Am. Chem. Soc. 134, 12780-12785.]); Horike et al. (2012[Horike, S., Umeyama, D., Inukai, M., Itakura, T. & Kitagawa, S. (2012). J. Am. Chem. Soc. 134, 7612-7615.]). For phosphonate, carboxylate and azolate compounds, see: Stock & Biswas (2012[Stock, N. & Biswas, S. (2012). Chem. Rev. 112, 933-969.]). For bond-valence analysis, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(HPO4)(C2H3N3)]

  • Mr = 230.42

  • Orthorhombic, P c a 21

  • a = 8.5467 (13) Å

  • b = 8.4344 (12) Å

  • c = 8.9674 (13) Å

  • V = 646.43 (16) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 4.01 mm-1

  • T = 296 K

  • 0.24 × 0.18 × 0.12 mm

Data collection
  • Bruker X8 APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1999[Sheldrick, G. M. (1999). SADABS. University of Göttingen, Germany.]) Tmin = 0.511, Tmax = 0.638

  • 8746 measured reflections

  • 3318 independent reflections

  • 3207 reflections with I > 2[sigma](I)

  • Rint = 0.029

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.051

  • S = 1.04

  • 3318 reflections

  • 100 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.46 e Å-3

  • [Delta][rho]min = -1.40 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1184 Friedel pairs

  • Flack parameter: 0.020 (6)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N3-H3...O2i 0.86 1.99 2.8427 (15) 175
O4-H4...O1ii 0.82 1.80 2.5978 (12) 164
Symmetry codes: (i) x, y+1, z; (ii) [x+{\script{1\over 2}}, -y, z].

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005[Bruker (2005). APEX2 and SAINT. 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, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and 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: SJ5276 ).


Acknowledgements

The authors thank the Unit of Support for Technical and Scientific Research (UATRS, CNRST) for the X-ray measurements.

References

Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [ISI] [details]
Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Horcajada, P., Gref, R., Baati, T., Allan, P. K., Maurin, G., Couvreur, P., Férey, G., Morris, R. E. & Serre, C. (2012). Chem. Rev. 112, 1232-1268.  [ISI] [CrossRef] [ChemPort] [PubMed]
Horike, S., Umeyama, D., Inukai, M., Itakura, T. & Kitagawa, S. (2012). J. Am. Chem. Soc. 134, 7612-7615.  [CrossRef] [ChemPort] [PubMed]
Li, J.-R., Sculley, J. & Zhou, H.-C. (2012). Chem. Rev. 112, 869-932.  [ISI] [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (1999). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Stock, N. & Biswas, S. (2012). Chem. Rev. 112, 933-969.  [ISI] [CrossRef] [ChemPort] [PubMed]
Umeyama, D., Horike, S., Inukai, M., Itakura, T. & Kitagawa, S. (2012). J. Am. Chem. Soc. 134, 12780-12785.  [CrossRef] [ChemPort] [PubMed]
Wang, C., Zhang, T. & Lin, W. (2012). Chem. Rev. 112, 1084-1104.  [CrossRef] [ChemPort] [PubMed]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Yoon, M., Srirambalaji, R. & Kim, K. (2012). Chem. Rev. 112, 1196-1231.  [ISI] [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2012). E68, m1426-m1427   [ doi:10.1107/S1600536812044182 ]

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