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Volume 69 
Part 12 
Page o1728  
December 2013  

Received 4 October 2013
Accepted 9 October 2013
Online 6 November 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.047
wR = 0.148
Data-to-parameter ratio = 15.4
Details
Open access

4-Eth­oxy-3-meth­oxy­benzaldehyde

aFaculty of Metallurgy and Technology, University of Montenegro, Cetinjski put bb, 81000 Podgorica, Montenegro,bVinca Institute of Nuclear Sciences, Laboratory of Theoretical Physics and Condensed Matter Physics, PO Box 522, University of Belgrade, 11001 Belgrade, Serbia, and cFaculty of Sciences, Department of Chemistry, University of Kragujevac, R. Domanovica 12, 34000 Kragujevac, Serbia
Correspondence e-mail: zorica@ac.me

In the title compound, C10H12O3, all non-H atoms are approximately coplanar, with an r.m.s. deviation of 0.046 Å. In the crystal, very weak C-H...O inter­actions link the mol­ecules into sheets parallel to (101).

Related literature

For the bioactivity of de­hydro­zingerone derivatives and their role in the synthesis of heterocycles, see: Tatsuzaki et al. (2006[Tatsuzaki, J., Bastow, K. F., Nakagawa-Goto, K., Nakamura, S., Itokawa, H. & Lee, K.-H. (2006). J. Nat. Prod. 69, 1445-1449.]); Kubra et al. (2013[Kubra, R., Murthy, P. & Mohan Rao, J. (2013). J. Food Sci. 78, M64-M69.]); Panda & Chowdary (2008[Panda, S. S. & Chowdary, P. V. R. (2008). Indian J. Pharm. Sci. 70, 208-215.]); Mostahar et al. (2007[Mostahar, S., Katun, P. & Islam, A. (2007). J. Biol. Sci. 7, 514-519.]). For related crystal structures, see: Matos Beja et al. (1997[Matos Beja, A., Paixão, J. A., Ramos Silva, M., Alte da Veiga, L., Rocha Gonsalves, A. M. d'A., Pereira, M. M. & Serra, A. C. (1997). Acta Cryst. C53, 494-496.]); Velavan et al. (1995[Velavan, R., Sureshkumar, P., Sivakumar, K. & Natarajan, S. (1995). Acta Cryst. C51, 1131-1133.]).

[Scheme 1]

Experimental

Crystal data
  • C10H12O3

  • Mr = 180.20

  • Monoclinic, P 21 /c

  • a = 11.5314 (16) Å

  • b = 8.7905 (11) Å

  • c = 9.3363 (13) Å

  • [beta] = 97.339 (14)°

  • V = 938.6 (2) Å3

  • Z = 4

  • Cu K[alpha] radiation

  • [mu] = 0.78 mm-1

  • T = 293 K

  • 0.39 × 0.17 × 0.14 mm

Data collection
  • Agilent Gemini S diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2013[Agilent (2013). CrysAlis PRO. Agilent Technologies, Yarnton, England.]) Tmin = 0.933, Tmax = 1.000

  • 6035 measured reflections

  • 1848 independent reflections

  • 1299 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.148

  • S = 1.04

  • 1848 reflections

  • 120 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.12 e Å-3

  • [Delta][rho]min = -0.17 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1...O1i 0.93 2.67 3.547 (3) 157
C10-H10B...O2ii 0.96 2.62 3.525 (2) 156
Symmetry codes: (i) [-x, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: CrysAlis PRO (Agilent, 2013[Agilent (2013). CrysAlis PRO. Agilent Technologies, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]), PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and PARST (Nardelli, 1995[Nardelli, M. (1995). J. Appl. Cryst. 28, 659.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2209 ).


Acknowledgements

This work was supported by the Ministry of Education, Science and Technological development of the Republic of Serbia (projects No. 172014, 172035 and 172034).

References

Agilent (2013). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Kubra, R., Murthy, P. & Mohan Rao, J. (2013). J. Food Sci. 78, M64-M69.  [Web of Science] [CrossRef] [ChemPort] [PubMed]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Matos Beja, A., Paixão, J. A., Ramos Silva, M., Alte da Veiga, L., Rocha Gonsalves, A. M. d'A., Pereira, M. M. & Serra, A. C. (1997). Acta Cryst. C53, 494-496.  [CSD] [CrossRef] [IUCr Journals]
Mostahar, S., Katun, P. & Islam, A. (2007). J. Biol. Sci. 7, 514-519.  [ChemPort]
Nardelli, M. (1995). J. Appl. Cryst. 28, 659.  [CrossRef] [IUCr Journals]
Panda, S. S. & Chowdary, P. V. R. (2008). Indian J. Pharm. Sci. 70, 208-215.  [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Tatsuzaki, J., Bastow, K. F., Nakagawa-Goto, K., Nakamura, S., Itokawa, H. & Lee, K.-H. (2006). J. Nat. Prod. 69, 1445-1449.  [Web of Science] [CrossRef] [PubMed] [ChemPort]
Velavan, R., Sureshkumar, P., Sivakumar, K. & Natarajan, S. (1995). Acta Cryst. C51, 1131-1133.  [CSD] [CrossRef] [IUCr Journals]


Acta Cryst (2013). E69, o1728  [ doi:10.1107/S160053681302761X ]

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