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Acta Crystallographica Section E

Structure Reports
Online
ISSN 1600-5368
Editors: W. Clegg and D. G. Watson

4-Methoxyphenyl benzoate
B. Thimme Gowda, Sabine Foro, Roopa Nayak and Hartmut Fuess

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Acta Cryst. (2007). E63, o3507 Gowda et al. ¯ C14 H12 O3

 organic compounds
Acta Crystallographica Section E Data collection
Structure Reports Enraf–Nonius CAD-4 2067 independent reflections
Online diffractometer 1876 reflections with I > 2
(I)
Absorption correction: scan Rint = 0.017
ISSN 1600-5368
(North et al., 1968) 3 standard reflections
Tmin = 0.648, Tmax = 0.727 frequency: 120 min
3699 measured reflections intensity decay: none
4-Methoxyphenyl benzoate
Refinement
a
B. Thimme Gowda, * Sabine Foro, Roopa Nayak and b a R[F 2 > 2
(F 2)] = 0.033 191 parameters
wR(F 2) = 0.095 Only H-atom coordinates refined
Hartmut Fuessb S = 1.06
max = 0.14 e Å 3
2067 reflections
min = 0.11 e Å 3
a
Department of Chemistry, Mangalore University, Mangalagangotri 574 199,
Mangalore, India, and bInstitute of Materials Science, Darmstadt University of
Technology, Petersenstrasse 23, D-64287 Darmstadt, Germany
Data collection: CAD-4-PC Software (Enraf–Nonius, 1996); cell
Correspondence e-mail: gowdabt@yahoo.com
refinement: CAD-4-PC Software; data reduction: REDU4 (Stoe &
Received 11 July 2007; accepted 12 July 2007 Cie, 1987); program(s) used to solve structure: SHELXS97 (Shel-
drick, 1997); program(s) used to refine structure: SHELXL97
Key indicators: single-crystal X-ray study; T = 299 K; mean
(C–C) = 0.002 Å; (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); soft-
R factor = 0.033; wR factor = 0.095; data-to-parameter ratio = 10.8. ware used to prepare material for publication: SHELXL97.

BTG thanks the Alexander von Humboldt Foundation,

The structure of the title compound (4MPBA), C14H12O3, Bonn, Germany for extensions of his research fellowship.
resembles that of phenyl benzoate (PBA), with similar
geometric parameters. The dihedral angle between the phenyl
Supplementary data and figures for this paper are available from the
and benzene rings in 4MPBA is 56.42 (3) , compared with IUCr electronic archives (Reference: WN2169).
55.7 observed for PBA. The molecules in the title compound
pack in layers parallel to the ac plane and in columns parallel
to the c axis. References
Adams, J. M. & Morsi, S. E. (1976). Acta Cryst. B32, 1345–1347.
Enraf–Nonius (1996). CAD-4-PC Software. Version 2.0. Enraf–Nonius, Delft,
Related literature The Netherlands.
Gowda, B. T., Foro, S. & Fuess, H. (2007). Acta Cryst. E63, o3391.
For related literature, see: Adams & Morsi (1976); Gowda, Gowda, B. T., Kozisek, J., Svoboda, I. & Fuess, H. (2007). Z. Naturforsch. Teil
Kozisek, Tokarcik et al. (2007a, 2007b); Gowda, Foro & Fuess A, 62, 91–100.
Gowda, B. T., Kožı́šek, J., Tokarčı́k, M. & Fuess, H. (2007a). Acta Cryst. E63,
(2007); Gowda, Kozisek, Svoboda et al. (2007); Gowda, Nayak o2711.
et al. (2007); Gowda, Svoboda et al. (2007); Nayak & Gowda Gowda, B. T., Kožı́šek, J., Tokarčı́k, M. & Fuess, H. (2007b). Acta Cryst. E63,
(2007). m1958.
Gowda, B. T., Nayak, R., Foro, S., Kožı́šek, J. & Fuess, H. (2007). Acta Cryst.
E63, o2968.
Gowda, B. T., Svoboda, I. & Fuess, H. (2007). Acta Cryst. E63, o3308.
Nayak, R. & Gowda, B. T. (2007). Z. Naturforsch. Teil A, 62. In the press.
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351–
359.
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of
Experimental Göttingen, Germany.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7–13.
Crystal data Stoe & Cie (1987). REDU4. Version 6.2c. Stoe & Cie, Darmstadt, Germany.
C14H12O3 V = 2327.5 (4) Å3
Mr = 228.24 Z=8
Orthorhombic, Pbca Cu K radiation
a = 14.303 (1) Å  = 0.75 mm 1
b = 6.4799 (7) Å T = 299 (2) K
c = 25.113 (2) Å 0.60  0.50  0.43 mm

Acta Cryst. (2007). E63, o3507 doi:10.1107/S160053680703406X # 2007 International Union of Crystallography o3507
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