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Volume 69 
Part 5 
Page o792  
May 2013  

Received 17 April 2013
Accepted 19 April 2013
Online 27 April 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.003 Å
Disorder in main residue
R = 0.038
wR = 0.106
Data-to-parameter ratio = 10.1
Details
Open access

2-Phenylethanaminium 4-hydroxybenzoate

aDepartment of Physics, Presidency College, Chennai 600 005, India, and bDepartment of Physics, CPCL Polytechnic College, Chennai 600 068, India
Correspondence e-mail: chakkaravarthi_2005@yahoo.com, mohan66@hotmail.com

In the title salt, C8H12N+·C7H5O3-, the cation is disordered over two orientations with site occupancies of 0.565 (7) and 0.435 (7). In the anion, the carboxylate group makes the dihedral angle of 4.19 (18)° with the benzene ring. In the crystal, the ions are connected by N-H...O and O-H...O hydrogen bonds, forming a three-dimensional network.

Related literature

For structures containing p-hydroxybenzoate anions, see: Marsh & Spek (2001[Marsh, R. E. & Spek, A. L. (2001). Acta Cryst. B57, 800-805.]); Yang et al. (2010[Yang, Y. X., Li, K., Wang, Y. J. & Li, Q. (2010). Beijing Shifan Dax. Xue. Zir. Kex. (J. B. Norm. Univ.), 46, 160-165.]); Sudhahar et al. (2013[Sudhahar, S., Krishnakumar, M., Sornamurthy, B. M., Chakkaravarthi, G. & Mohankumar, R. (2013). Acta Cryst. E69, o279.]).

[Scheme 1]

Experimental

Crystal data
  • C8H12N+·C7H5O3-

  • Mr = 259.30

  • Orthorhombic, P n a 21

  • a = 13.0721 (12) Å

  • b = 17.3426 (16) Å

  • c = 6.2154 (6) Å

  • V = 1409.1 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.09 mm-1

  • T = 295 K

  • 0.36 × 0.30 × 0.24 mm

Data collection
  • Bruker Kappa APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS, University of Göttingen, Germany.]) Tmin = 0.970, Tmax = 0.980

  • 7327 measured reflections

  • 2561 independent reflections

  • 1671 reflections with I > 2[sigma](I)

  • Rint = 0.029

Refinement
  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.106

  • S = 1.03

  • 2561 reflections

  • 254 parameters

  • 6 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.12 e Å-3

  • [Delta][rho]min = -0.13 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...O1i 0.89 1.89 2.709 (11) 152
N1-H1B...O2ii 0.89 1.88 2.760 (10) 168
N1-H1C...O2 0.89 1.90 2.752 (11) 159
O3-H3A...O2iii 0.82 1.88 2.674 (3) 162
Symmetry codes: (i) [-x+1, -y+1, z-{\script{1\over 2}}]; (ii) [-x+1, -y+1, z+{\script{1\over 2}}]; (iii) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z].

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK5220 ).


Acknowledgements

MK would like to thank Council of Scientific and Industrial Research, New Delhi, India, for providing financial support (project No. 03 (1200)/11/EMR-II).

References

Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Marsh, R. E. & Spek, A. L. (2001). Acta Cryst. B57, 800-805.  [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS, University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [ChemPort] [details]
Sudhahar, S., Krishnakumar, M., Sornamurthy, B. M., Chakkaravarthi, G. & Mohankumar, R. (2013). Acta Cryst. E69, o279.  [CSD] [CrossRef] [details]
Yang, Y. X., Li, K., Wang, Y. J. & Li, Q. (2010). Beijing Shifan Dax. Xue. Zir. Kex. (J. B. Norm. Univ.), 46, 160-165.  [ChemPort]


Acta Cryst (2013). E69, o792  [ doi:10.1107/S1600536813010787 ]

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