4-Meth­oxy-3-(meth­oxy­meth­yl)benzalde­hyde

Zhang, J.-C.; Sun, J.; Zhang, J.; Liu, G.-L.; Guo, C.

doi:10.1107/S1600536812050350

Volume 69
Part 1
Page o112
January 2013

Received 7 December 2012
Accepted 11 December 2012
Online 19 December 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.063
wR = 0.165
Data-to-parameter ratio = 14.7
Details

4-Methoxy-3-(methoxymethyl)benzaldehyde

Jing-Chao Zhang,^a Jun Sun,^a Juan Zhang,^a Guang-Lin Liu ^a and Cheng Guo ^a ^*

^aDepartment of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 211816, People's Republic of China
Correspondence e-mail: guocheng@njut.edu.cn

In the title compound, C₁₀H₁₂O₃, the dihedral angle between the benzene ring and the methoxymethyl side chain is 9.7 (2)°. The O atom of the aldehyde group and the C atom of the methoxy group deviate from the plane of the ring by 0.039 (3) and 0.338 (4) Å, respectively. The only intermolecular interactions are very weak C-H [pi] interactions.

Related literature

For the synthesis and applications of the title compound see: Jonali et al. (2003).

Experimental

Crystal data

C₁₀H₁₂O₃
M_r = 180.20
Monoclinic, P 2₁ /c
a = 7.8100 (16) Å
b = 8.3970 (17) Å
c = 14.510 (3) Å
= 98.01 (3)°
V = 942.3 (3) Å³
Z = 4
Mo K radiation
= 0.09 mm^-1
T = 293 K
0.30 × 0.20 × 0.10 mm

Data collection

Enraf-Nonius CAD-4 diffractometer
Absorption correction: scan (North et al., 1968) T_min = 0.973, T_max = 0.991
1860 measured reflections
1729 independent reflections
860 reflections with I > 2(I)
R_int = 0.099
3 standard reflections every 200 reflections intensity decay: 1%

Refinement

R[F² > 2(F²)] = 0.063
wR(F²) = 0.165
S = 1.01
1729 reflections
118 parameters
H-atom parameters constrained
_max = 0.19 e Å^-3
_min = -0.18 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 is the centroid of the C1-C6 ring.

D-HA	D-H	HA	DA	D-HA
C7-H7BCg1ⁱ	0.96	2.84	3.650 (5)	143
C8-H8ACg1ⁱⁱ	0.97	2.97	3.731 (3)	136
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) -x+1, -y, -z.

Data collection: CAD-4 Software (Enraf-Nonius, 1985); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); 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: HB7010 ).

Acknowledgements

The authors thank the Center of Testing and Analysis, Nanjing University, for the data collection.

References

Enraf-Nonius (1985). CAD-4 Software. Enraf-Nonius, Delft, The Netherlands.
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Jonali, G., Naleen, B. & Amrit, G. (2003). J. Chem. Res. S, 200-203.
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

organic compounds