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Volume 69 
Part 2 
Page o317  
February 2013  

Received 27 January 2013
Accepted 28 January 2013
Online 31 January 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.003 Å
R = 0.054
wR = 0.181
Data-to-parameter ratio = 19.2
Details
Open access

2-Hydroxy-3-methoxymethyl-5-methylbenzaldehyde

aDepartment of Physics & Nano Technology, SRM University, SRM Nagar, Kattankulathur, Kancheepuram Dist, Chennai 603 203 Tamil Nadu, India,bDepartment of Chemistry, DDE, Alagappa University, Karaikudi 630 003, India, and cDepartment of Physics, CPCL Polytechnic College, Chennai 600 068, India
Correspondence e-mail: chakkaravarthi_2005@yahoo.com

In the title molecule, C10H12O3, all non-H atoms lie in a common plane (r.m.s deviation = 0.010 Å). The molecular conformation is stabilized by an intramolecular O-H...O hydrogen bond.

Related literature

For the biological activity of methylbenzene derivatives, see: Anbarasan et al. (2011[Anbarasan, P. M., Subramanian, M. K., Senthilkumar, P., Mohanasundaram, C., Ilangovan, V. & Sundaraganesan, N. (2011). J. Chem. Pharm. Res. 3, 597-612.]); Chan & Daniels (2007[Chan, L. & Daniels, L. (2007). Acta Cryst. E63, o2435.]). For related structures see: Wang et al. (2011[Wang, J., Duan, E., Zhou, E., Yao, Q. & Zhang, W. (2011). Acta Cryst. E67, o1414.]); Kiliç et al. (2009[Kiliç, I., Isik, S., Agar, E. & Ersahin, F. (2009). Acta Cryst. E65, o1347.]); For graph-set notation of hydrogen bonds, see: Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N. (1995). Angew. Chem. Int. Ed. Engl., 34, 1555-1573.]).

[Scheme 1]

Experimental

Crystal data
  • C10H12O3

  • Mr = 180.20

  • Monoclinic, P 21 /c

  • a = 13.899 (3) Å

  • b = 8.9184 (19) Å

  • c = 7.5043 (16) Å

  • [beta] = 94.098 (6)°

  • V = 927.8 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.10 mm-1

  • T = 295 K

  • 0.30 × 0.24 × 0.20 mm

Data collection
  • Bruker Kappa APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.972, Tmax = 0.981

  • 10089 measured reflections

  • 2329 independent reflections

  • 1213 reflections with I > 2[sigma](I)

  • Rint = 0.050

Refinement
  • R[F2 > 2[sigma](F2)] = 0.054

  • wR(F2) = 0.181

  • S = 1.03

  • 2329 reflections

  • 121 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.24 e Å-3

  • [Delta][rho]min = -0.22 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2-H2...O1 0.82 1.91 2.628 (3) 146

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT (Bruker, 2004[Bruker (2004). 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: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT6886 ).


Acknowledgements

The authors wish to acknowledge the SAIF, IIT, Madras for the data collection.

References

Anbarasan, P. M., Subramanian, M. K., Senthilkumar, P., Mohanasundaram, C., Ilangovan, V. & Sundaraganesan, N. (2011). J. Chem. Pharm. Res. 3, 597-612.  [ChemPort]
Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N. (1995). Angew. Chem. Int. Ed. Engl., 34, 1555-1573.  [CrossRef] [ChemPort]
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chan, L. & Daniels, L. (2007). Acta Cryst. E63, o2435.  [CrossRef] [details]
Kiliç, I., Isik, S., Agar, E. & Ersahin, F. (2009). Acta Cryst. E65, o1347.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (1996). 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]
Wang, J., Duan, E., Zhou, E., Yao, Q. & Zhang, W. (2011). Acta Cryst. E67, o1414.  [CrossRef] [details]


Acta Cryst (2013). E69, o317  [ doi:10.1107/S1600536813002845 ]

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