Crystallography Open Database

Information card for entry 2228185

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Structure parameters

Chemical name	1-[2-(3,5-Difluorobenzyloxy)phenyl]ethanone
Formula	C15 H12 F2 O2
Calculated formula	C15 H12 F2 O2
SMILES	Fc1cc(COc2c(C(=O)C)cccc2)cc(F)c1
Title of publication	1-[2-(3,5-Difluorobenzyloxy)phenyl]ethanone
Authors of publication	Ma, Ya-Tuan; Shi, Xin-Wei; Shuai, Qi; Gao, Jin-Ming
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	o2293
a	7.2808 ± 0.0007 Å
b	7.9734 ± 0.0008 Å
c	11.6466 ± 0.0012 Å
α	91.587 ± 0.001°
β	106.559 ± 0.002°
γ	95.343 ± 0.001°
Cell volume	644.22 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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