4-(Diphenyl­phosphino­yl)benzoic acid

Li, Y.-J.; Zhang, R.-C.

doi:10.1107/S1600536808031449

Volume 64
Part 11
Page o2074
November 2008

Received 29 September 2008
Accepted 29 September 2008
Online 4 October 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.056
wR = 0.110
Data-to-parameter ratio = 15.5
Details

4-(Diphenylphosphinoyl)benzoic acid

Yuan-Jing Li ^a ^* and Rong-Chang Zhang ^a

^aFaculty of Chemistry and Biology, Beihua University, Jilin City 132013, People's Republic of China
Correspondence e-mail: jls_yjl@126.com

Molecules of the title compound, C₁₉H₁₅O₃P, are connected by O-HO hydrogen bonds between the carboxylic acid OH group and the phosphinoyl O atom, forming chains running along the crystallographic b axis.

Related literature

For general background, see, see: Al-Farhan (1992). For related structures, see: Etter (1990); Fuquen & Lechat (1992).

Experimental

Crystal data

C₁₉H₁₅O₃P
M_r = 322.28
Monoclinic, C 2/c
a = 18.018 (3) Å
b = 10.0921 (18) Å
c = 18.028 (4) Å
= 91.467 (4)°
V = 3277.1 (11) Å³
Z = 8
Mo K radiation
= 0.18 mm^-1
T = 293 (2) K
0.24 × 0.21 × 0.17 mm

Data collection

Bruker APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SAINT; Bruker, 1998) T_min = 0.956, T_max = 0.971
8975 measured reflections
3228 independent reflections
1796 reflections with I > 2(I)
R_int = 0.079

Refinement

R[F² > 2(F²)] = 0.056
wR(F²) = 0.110
S = 0.91
3228 reflections
208 parameters
H-atom parameters constrained
_max = 0.38 e Å^-3
_min = -0.25 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3O1ⁱ	0.82	1.78	2.579 (3)	163
Symmetry code: (i) x, y-1, z.

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT2800 ).

Acknowledgements

The authors thank Beihua University for supporting this work.

References

Al-Farhan, K. A. (1992). J. Chem. Crystallogr. 22, 687-692.
Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Etter, M. (1990). Acc. Chem. Res. 23, 120-126.
Fuquen, R. M. & Lechat, J. R. (1992). Acta Cryst. C48, 1690-1692.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

organic compounds