Crystallography Open Database

Information card for entry 4025411

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Structure parameters

Chemical name	3-Bromo-2,2'-dichloro-[4,4']bipyridinyl
Formula	C10 H5 Br Cl2 N2
Calculated formula	C10 H5 Br Cl2 N2
SMILES	Brc1c(Cl)nccc1c1ccnc(Cl)c1
Title of publication	Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure
Authors of publication	Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	3224 - 3231
a	7.3807 ± 0.0002 Å
b	7.2933 ± 0.0003 Å
c	10.2971 ± 0.0003 Å
α	90°
β	107.738 ± 0.003°
γ	90°
Cell volume	527.94 ± 0.03 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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