Crystallography Open Database

Information card for entry 4325711

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Structure parameters

Common name	sd102
Chemical name	2-Bromo-3-(2-bromophenyl)pyridine
Formula	C11 H7 Br2 N
Calculated formula	C11 H7 Br2 N
SMILES	c1cccc(Br)c1c1cccnc1Br
Title of publication	Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character
Authors of publication	Stefan Durben; Thomas Baumgartner
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6823 - 6836
a	7.0706 ± 0.0003 Å
b	10.6491 ± 0.0005 Å
c	14.1876 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1068.26 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0487
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4325711.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4325711.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325711.cif
44784	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325711 via cif-deposit CGI script.	4325711.cif