Crystallography Open Database

Information card for entry 1520189

1520188 << 1520189 >> 1520190

Preview

Coordinates	1520189.cif

Structure parameters

Chemical name	N-(4-ethoxyphenyl)acetamide
Formula	C10 H13 N O2
Calculated formula	C10 H13 N O2
SMILES	c1(ccc(cc1)OCC)NC(=O)C
Title of publication	N-(4-ethoxyphenyl)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	547
a	13.2432 ± 0.0003 Å
b	9.5856 ± 0.0003 Å
c	7.4783 ± 0.0002 Å
α	90°
β	103.345 ± 0.002°
γ	90°
Cell volume	923.69 ± 0.04 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520189.cif
137636	2015-06-01	cif/ Adding structures of 1520189 via cif-deposit CGI script.	1520189.cif