Crystallography Open Database

Information card for entry 1520241

1520240 << 1520241 >> 1520242

Preview

Coordinates	1520241.cif

Structure parameters

Chemical name	N-(3-nitrophenyl)acetamide
Formula	C8 H8 N2 O3
Calculated formula	C8 H8 N2 O3
SMILES	c1(cc(ccc1)N(=O)=O)NC(=O)C
Title of publication	N-(3-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	1371
a	9.7285 ± 0.0005 Å
b	13.3392 ± 0.0007 Å
c	12.9849 ± 0.0005 Å
α	90°
β	103.791 ± 0.003°
γ	90°
Cell volume	1636.48 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176428 (current)	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.	1520241.cif
137860	2015-06-04	cif/ Adding structures of 1520241 via cif-deposit CGI script.	1520241.cif