Diisopropyl­ammonium hydrogen phenyl­phospho­nate

Sarr, M.; Boye, M.S.; Diasse-Sarr, A.; Grosjean, A.; Guionneau, P.

doi:10.1107/S1600536812041086

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 (C-C) = 0.002 Å
R = 0.029
wR = 0.080
Data-to-parameter ratio = 16.4
Details

Diisopropylammonium hydrogen phenylphosphonate

Modou Sarr,^a Mouhamadou Sembene Boye,^a ^* Aminata Diasse-Sarr,^a Arnaud Grosjean ^b and Philippe Guionneau ^b

^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-HO hydrogen bonds, forming inversion dimers. These dimers are bridged by the cations via N-HO hydrogen bonds, leading to a three-dimensional structure.

Related literature

For crystal structures of closely related compounds, see: Diop et al. (2012); Beckmann et al. (2003).

Experimental

Crystal data

C₆H₁₆N⁺·C₆H₆O₃P^-
M_r = 259.28
Monoclinic, P 2₁ /n
a = 11.9166 (2) Å
b = 9.0982 (1) Å
c = 12.8539 (1) Å
= 101.013 (1)°
V = 1367.95 (3) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.845, T_max = 0.952
7738 measured reflections
3990 independent reflections
3626 reflections with I > 2(I)
R_int = 0.013

Refinement

R[F² > 2(F²)] = 0.029
wR(F²) = 0.080
S = 1.03
3990 reflections
243 parameters
All H atoms refined
_max = 0.38 e Å^-3
_min = -0.33 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H17O3	0.900 (14)	1.960 (14)	2.8510 (10)	170.3 (12)
O2-H6O3ⁱ	0.847 (19)	1.744 (19)	2.5895 (10)	177.4 (19)
N1-H16O1ⁱⁱ	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); cell refinement: HKL DENZO (Otwinowski & Minor, 1997); data reduction: SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: publCIF (Westrip, 2010).

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.
Diop, T., Diop, L., Maris, T. & Stoeckli-Evans, H. (2012). Acta Cryst. E68, o1432.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
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.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

organic compounds