Crystallography Open Database

Information card for entry 1520433

1520432 << 1520433 >> 1520434

Preview

Coordinates	1520433.cif
External links	PubChem

Structure parameters

Chemical name	N-(4-acetylphenyl)acetamide
Formula	C10 H11 N O2
Calculated formula	C10 H11 N O2
SMILES	O=C(Nc1ccc(cc1)C(=O)C)C
Title of publication	N-(4-acetylphenyl)acetamide
Authors of publication	Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	1399
a	7.5138 ± 0.0005 Å
b	9.3146 ± 0.0007 Å
c	12.8999 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	902.84 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520433.cif
138927	2015-06-08	cif/ Adding structures of 1520433 via cif-deposit CGI script.	1520433.cif