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Volume 68 
Part 11 
Page o3190  
November 2012  

Received 28 September 2012
Accepted 16 October 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.002 Å
R = 0.039
wR = 0.100
Data-to-parameter ratio = 14.4
Details
Open access

1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

aDepartment of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India, and bDepartment of Nanotechnology, School of Interdisciplinary Courses, Noorul Islam Centre for Higher Education, Kumarcoil, Kanyakumari 629 180, India
Correspondence e-mail: lokanath@physics.uni-mysore.ac.in

In the title compound, C18H17FO4, the dihedral angle between the aromatic rings is 32.29 (8)°. The C atoms of the methoxy groups deviate from their attached ring plane by 0.018 (2), -0.006 (2) and -0.094 (2) Å. In the crystal, C-H...O hydrogen bonds link the molecules into C(6) [001] chains.

Related literature

For the synthesis and properties of the title compound, see: Rimal et al. (2012[Rimal, I., SriBindu, M. C., Sudhakar, P. R., JosephJoly, V. L., Wu, R. J. & ChMurthy, S. S. S. (2012). Adv. Sci. Eng. Med. 4, 1-7.]). For a related structure, see: Jasinski et al. (2009[Jasinski, J. P., Butcher, R. J., Veena, K., Narayana, B. & Yathirajan, H. S. (2009). Acta Cryst. E65, o1965-o1966.]).

[Scheme 1]

Experimental

Crystal data
  • C18H17FO4

  • Mr = 316.32

  • Monoclinic, P 21 /n

  • a = 7.0927 (3) Å

  • b = 25.9711 (11) Å

  • c = 8.7487 (4) Å

  • [beta] = 91.584 (4)°

  • V = 1610.94 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.10 mm-1

  • T = 296 K

  • 0.22 × 0.22 × 0.20 mm

Data collection
  • Oxford Diffraction Xcalibur Eos CCD diffractometer

  • 16217 measured reflections

  • 3057 independent reflections

  • 1946 reflections with I > 2[sigma](I)

  • Rint = 0.037

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.100

  • S = 1.00

  • 3057 reflections

  • 212 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.17 e Å-3

  • [Delta][rho]min = -0.14 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C2-H2...O1i 0.93 2.44 3.338 (2) 162
Symmetry code: (i) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}].

Data collection: CrysAlis PRO (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, 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: 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: SHELXL97 and Mercury.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6965 ).


Acknowledgements

SMK thanks the UGC-BRS and the University of Mysore for the award of a fellowship.

References

Jasinski, J. P., Butcher, R. J., Veena, K., Narayana, B. & Yathirajan, H. S. (2009). Acta Cryst. E65, o1965-o1966.  [CSD] [CrossRef] [details]
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.  [ISI] [CrossRef] [ChemPort] [details]
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Rimal, I., SriBindu, M. C., Sudhakar, P. R., JosephJoly, V. L., Wu, R. J. & ChMurthy, S. S. S. (2012). Adv. Sci. Eng. Med. 4, 1-7.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, o3190  [ doi:10.1107/S1600536812043139 ]

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