Crystallography Open Database

Information card for entry 2019313

2019312 << 2019313 >> 2019314

Preview

Coordinates	2019313.cif
Original IUCr paper	HTML

Structure parameters

Common name	sodium 4-nitroanthranilate dihydrate
Chemical name	Poly[μ-aqua-aqua(μ~3~-2-amino-4-nitrobenzoato)sodium(I)]
Formula	C7 H9 N2 Na O6
Calculated formula	C7 H9 N2 Na O6
SMILES	[Na+].O.O.[O-]C(=O)c1c(N)cc(N(=O)=O)cc1
Title of publication	Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid
Authors of publication	Smith, Graham
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1472 - 1477
a	6.611 ± 0.0006 Å
b	6.9443 ± 0.0007 Å
c	11.7453 ± 0.0011 Å
α	75.054 ± 0.008°
β	85.243 ± 0.007°
γ	67.249 ± 0.009°
Cell volume	480.35 ± 0.09 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019313.cif
92296	2014-01-12	cif/ Adding structures of 2019312, 2019313, 2019314 via cif-deposit CGI script.	2019313.cif