Crystallography Open Database

Information card for entry 2228293

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Structure parameters

Chemical name	2,6-Dibromo-4-butylaniline
Formula	C10 H13 Br2 N
Calculated formula	C10 H13 Br2 N
SMILES	Brc1c(c(Br)cc(c1)CCCC)N
Title of publication	2,6-Dibromo-4-butylaniline
Authors of publication	Zhao, Liang; Feng, Li-Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	o3268
a	17.566 ± 0.004 Å
b	4.6083 ± 0.0009 Å
c	29.023 ± 0.006 Å
α	90°
β	98.93 ± 0.03°
γ	90°
Cell volume	2320.9 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.143
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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