Crystallography Open Database

Information card for entry 2227579

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Structure parameters

Chemical name	6,8-Dibromoquinoline
Formula	C9 H5 Br2 N
Calculated formula	C9 H5 Br2 N
SMILES	Brc1c2ncccc2cc(Br)c1
Title of publication	6,8-Dibromoquinoline
Authors of publication	Çelik, Ísmail; Akkurt, Mehmet; Çakmak, Osman; Ökten, Salih; García-Granda, Santiago
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	o2997 - o2998
a	7.3436 ± 0.0012 Å
b	9.8961 ± 0.0015 Å
c	13.0108 ± 0.0018 Å
α	90°
β	109.589 ± 0.017°
γ	90°
Cell volume	890.8 ± 0.3 Å³
Cell temperature	296.5 K
Ambient diffraction temperature	296.5 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	0.0704
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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