Crystallography Open Database

Information card for entry 1519879

1519878 << 1519879 >> 1519880

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Coordinates	1519879.cif
External links	PubChem

Structure parameters

Formula	C10 H13 N O
Calculated formula	C10 H13 N O
SMILES	O=C(Nc1ccc(cc1)CC)C
Title of publication	N-(4-ethylphenyl)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	1398
a	4.5852 ± 0.0002 Å
b	21.3953 ± 0.001 Å
c	9.431 ± 0.0004 Å
α	90°
β	90.001 ± 0.003°
γ	90°
Cell volume	925.2 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1519879.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.	1519879.cif
137212	2015-05-22	cif/ Adding structures of 1519879 via cif-deposit CGI script.	1519879.cif