Crystallography Open Database

Information card for entry 2241072

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Structure parameters

Chemical name	2,6-Dichloro-4-nitropyridine <i>N</i>-oxide
Formula	C5 H2 Cl2 N2 O3
Calculated formula	C5 H2 Cl2 N2 O3
SMILES	Clc1n(=O)c(Cl)cc(N(=O)=O)c1
Title of publication	Crystal structure of 2,6-dichloro-4-nitropyridine <i>N</i>-oxide
Authors of publication	Prichard, Andrew M.; Lynch, Will E.; Padgett, Clifford W.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	10
Pages of publication	o775
a	5.964 ± 0.004 Å
b	9.51 ± 0.006 Å
c	26.192 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	1485.5 ± 1.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181911 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10.	2241072.cif 2241072.hkl
158326	2015-09-26	cif/ hkl/ Adding structures of 2241072 via cif-deposit CGI script.	2241072.cif 2241072.hkl