Crystallography Open Database

Information card for entry 2243194

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Structure parameters

Chemical name	2-Bromo-4,6-dimethylaniline
Formula	C8 H10 Br N
Calculated formula	C8 H10 Br N
SMILES	Brc1c(N)c(cc(c1)C)C
Title of publication	A structural study of 2,4-dimethylaniline derivatives
Authors of publication	Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	9
Pages of publication	1276 - 1280
a	16.4359 ± 0.001 Å
b	5.1917 ± 0.0003 Å
c	20.5792 ± 0.0011 Å
α	90°
β	110.748 ± 0.004°
γ	90°
Cell volume	1642.15 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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