Crystallography Open Database

Information card for entry 2224877

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Structure parameters

Chemical name	2,2,2-Tribromo-<i>N</i>-(2-chlorophenyl)acetamide
Formula	C8 H5 Br3 Cl N O
Calculated formula	C8 H5 Br3 Cl N O
SMILES	BrC(Br)(Br)C(=O)Nc1c(Cl)cccc1
Title of publication	2,2,2-Tribromo-<i>N</i>-(2-chlorophenyl)acetamide
Authors of publication	Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	2
Pages of publication	o386
a	9.1947 ± 0.0006 Å
b	12.9645 ± 0.0007 Å
c	9.5213 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1134.98 ± 0.12 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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