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

Prabuswamy, M.; Madan Kumar, S.; Bhuvaneshwar, D.; Murthy, C.S.S.S.; Lokanath, N.K.

doi:10.1107/S1600536812043139

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 (C-C) = 0.002 Å
R = 0.039
wR = 0.100
Data-to-parameter ratio = 14.4
Details

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

M. Prabuswamy,^a S. Madan Kumar,^a D. Bhuvaneshwar,^b Ch. S. S. S. Murthy ^b and N. K. Lokanath ^a ^*

^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-HO 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). For a related structure, see: Jasinski et al. (2009).

Experimental

Crystal data

C₁₈H₁₇FO₄
M_r = 316.32
Monoclinic, P 2₁ /n
a = 7.0927 (3) Å
b = 25.9711 (11) Å
c = 8.7487 (4) Å
= 91.584 (4)°
V = 1610.94 (12) Å³
Z = 4
Mo K radiation
= 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(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.039
wR(F²) = 0.100
S = 1.00
3057 reflections
212 parameters
H-atom parameters constrained
_max = 0.17 e Å^-3
_min = -0.14 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C2-H2O1ⁱ	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); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); 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.
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.
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.

organic compounds