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Volume 68 
Part 11 
Page o3078  
November 2012  

Received 17 September 2012
Accepted 30 September 2012
Online 6 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.029
wR = 0.080
Data-to-parameter ratio = 16.4
Details
Open access

Diisopropylammonium hydrogen phenylphosphonate

aLaboratoire de Chimie Minerale et Analytique, Département de Chimie, Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar, Senegal, and bCNRS, Universite de Bordeaux, ICMCB, 87 Avenue du Dr A. Schweitzer, Pessac F-33608, France
Correspondence e-mail: mouhasboye@hotmail.com

In the title salt, [(CH3)2CH]2NH2]+·[C6H5PO2(OH)]-, the anions are linked by pairs of O-H...O hydrogen bonds, forming inversion dimers. These dimers are bridged by the cations via N-H...O hydrogen bonds, leading to a three-dimensional structure.

Related literature

For crystal structures of closely related compounds, see: Diop et al. (2012[Diop, T., Diop, L., Maris, T. & Stoeckli-Evans, H. (2012). Acta Cryst. E68, o1432.]); Beckmann et al. (2003[Beckmann, J., Dakternieks, D. & Duthie, A. (2003). Appl. Organomet. Chem. 17, 817-818.]).

[Scheme 1]

Experimental

Crystal data
  • C6H16N+·C6H6O3P-

  • Mr = 259.28

  • Monoclinic, P 21 /n

  • a = 11.9166 (2) Å

  • b = 9.0982 (1) Å

  • c = 12.8539 (1) Å

  • [beta] = 101.013 (1)°

  • V = 1367.95 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.20 mm-1

  • T = 293 K

  • 0.88 × 0.63 × 0.25 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) Tmin = 0.845, Tmax = 0.952

  • 7738 measured reflections

  • 3990 independent reflections

  • 3626 reflections with I > 2[sigma](I)

  • Rint = 0.013

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.080

  • S = 1.03

  • 3990 reflections

  • 243 parameters

  • All H atoms refined

  • [Delta][rho]max = 0.38 e Å-3

  • [Delta][rho]min = -0.33 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H17...O3 0.900 (14) 1.960 (14) 2.8510 (10) 170.3 (12)
O2-H6...O3i 0.847 (19) 1.744 (19) 2.5895 (10) 177.4 (19)
N1-H16...O1ii 0.916 (15) 1.764 (15) 2.6782 (10) 176.7 (13)
Symmetry codes: (i) -x+2, -y+1, -z+2; (ii) [-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: COLLECT (Hooft, 1998[Hooft, R. (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: HKL DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); 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 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: 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: PV2589 ).


References

Beckmann, J., Dakternieks, D. & Duthie, A. (2003). Appl. Organomet. Chem. 17, 817-818.  [ISI] [CSD] [CrossRef] [ChemPort]
Diop, T., Diop, L., Maris, T. & Stoeckli-Evans, H. (2012). Acta Cryst. E68, o1432.  [CSD] [CrossRef] [details]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Hooft, R. (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2012). E68, o3078  [ doi:10.1107/S1600536812041086 ]

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