Crystallography Open Database

Information card for entry 3500031

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Structure parameters

Common name	2,6-Dibromoaniline
Chemical name	benzenamine, 2,6-dibromo-
Formula	C6 H5 Br2 N
Calculated formula	C6 H5 Br2 N
SMILES	Brc1c(N)c(Br)ccc1
Title of publication	2,6-Dibromoaniline
Authors of publication	Thierry Maris
Journal of publication	Personal communication to COD
Year of publication	2016
a	4.3237 ± 0.0002 Å
b	10.1666 ± 0.0004 Å
c	16.3253 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	717.62 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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