Crystallography Open Database

Information card for entry 1519899

1519898 << 1519899 >> 1519900

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Coordinates	1519899.cif
External links	PubChem

Structure parameters

Chemical name	N-(2-nitrophenyl)acetamide
Formula	C8 H8 N2 O3
Calculated formula	C8 H8 N2 O3
SMILES	c1(c(cccc1)N(=O)=O)NC(=O)C
Title of publication	N-(2-nitrophenyl)acetamide
Authors of publication	Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	1364
a	10.5564 ± 0.0004 Å
b	4.9758 ± 0.0002 Å
c	15.4117 ± 0.0005 Å
α	90°
β	97.134 ± 0.002°
γ	90°
Cell volume	803.26 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0556
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519899.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519899.cif
137232	2015-05-22	cif/ Adding structures of 1519899 via cif-deposit CGI script.	1519899.cif