Crystallography Open Database

Information card for entry 1520259

1520258 << 1520259 >> 1520260

Preview

Coordinates	1520259.cif

Structure parameters

Chemical name	N-(4-methoxyphenyl)acetamide
Formula	C9 H11 N O2
Calculated formula	C9 H11 N O2
SMILES	c1(ccc(cc1)OC)NC(=O)C
Title of publication	N-(4-methoxyphenyl)acetamide
Authors of publication	Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	543
a	9.1172 ± 0.0002 Å
b	7.495 ± 0.0002 Å
c	24.6628 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1685.29 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0459
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1520259.cif
137885	2015-06-04	cif/ Adding structures of 1520259 via cif-deposit CGI script.	1520259.cif