Crystallography Open Database

Information card for entry 4500116

Preview

Coordinates	4500116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H9 N3 O3
Calculated formula	C8 H9 N3 O3
Title of publication	Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide
Authors of publication	Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2074
a	12.7022 ± 0.0011 Å
b	3.8175 ± 0.0002 Å
c	17.3647 ± 0.0016 Å
α	90°
β	91.632 ± 0.007°
γ	90°
Cell volume	841.68 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
179532 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01.	4500116.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500116.cif
34398	2012-02-25	cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong.	4500116.cif
34352	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500114, 4500115, 4500116, 4500117 via cif-deposit CGI script.	4500116.cif