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Volume 69 
Part 11 
Page o1705  
November 2013  

Received 14 October 2013
Accepted 17 October 2013
Online 26 October 2013

Key indicators
Single-crystal X-ray study
T = 294 K
Mean [sigma](C-C) = 0.006 Å
R = 0.074
wR = 0.239
Data-to-parameter ratio = 10.4
Details
Open access

1-(3,5-Di­fluoro­phen­yl)-4,4,4-tri­fluoro­butane-1,3-dione

aDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur, Karnataka 572 103, India,bDepartment of Studies and Research in Physics, U.C.S., Tumkur University, Tumkur, Karnataka 572 103, India,cDepartment of Studies and Research in Chemistry, U.C.S., Tumkur University, Tumkur, Karnataka 572 103, India, and dDepartment of Studies in Physics, University of Mysore, Manasagangotri, Mysore, India
Correspondence e-mail: drsreenivasa@yahoo.co.in

In the title compound, C10H5F5O2, the C=O bonds are syn to one another. In the crystal, mol­ecules are linked into C(9) chains parallel to [101] through weak C-H...O inter­actions, with the O atom adjacent to the -CF3 group acting as the acceptor.

Related literature

For biological-activity studies of compounds with tri­fluoro­methyl substituents, see: Manoj Kumar et al. (2013[Manoj Kumar, K. E., Sreenivasa, S., Shivaraja, G. & Madhu Chakrapani Rao, T. (2013). Molbank, M803, doi:10.3390/M803.]).

[Scheme 1]

Experimental

Crystal data
  • C10H5F5O2

  • Mr = 252.14

  • Monoclinic, C 2/c

  • a = 12.393 (4) Å

  • b = 13.433 (5) Å

  • c = 12.877 (5) Å

  • [beta] = 112.49 (2)°

  • V = 1980.7 (13) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.18 mm-1

  • T = 294 K

  • 0.24 × 0.20 × 0.16 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2009[Bruker (2009). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.959, Tmax = 0.972

  • 5651 measured reflections

  • 1604 independent reflections

  • 1246 reflections with I > 2[sigma](I)

  • Rint = 0.040

Refinement
  • R[F2 > 2[sigma](F2)] = 0.074

  • wR(F2) = 0.239

  • S = 1.08

  • 1604 reflections

  • 154 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.43 e Å-3

  • [Delta][rho]min = -0.47 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C3-H3...O2i 0.93 2.53 3.462 (5) 177
Symmetry code: (i) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2009[Bruker (2009). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB7151 ).


Acknowledgements

The authors acknowledge the IOE X-ray diffractometer Facility, University of Mysore, Mysore, for the data collection. KEM and SS acknowledge Tumkur University, Tumkur, for providing laboratory facilities.

References

Bruker (2009). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Manoj Kumar, K. E., Sreenivasa, S., Shivaraja, G. & Madhu Chakrapani Rao, T. (2013). Molbank, M803, doi:10.3390/M803.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, o1705  [ doi:10.1107/S1600536813028535 ]

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