Crystallography Open Database

Information card for entry 3500024

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Structure parameters

Common name	4-Acetamidophenyl salicylate
Chemical name	4-Acetamidophenyl 2-hydroxybenzoate
Formula	C15 H13 N O4
Calculated formula	C15 H13 N O4
SMILES	Oc1ccccc1C(=O)Oc1ccc(NC(=O)C)cc1
Title of publication	4-Acetamidophenyl 2-hydroxybenzoate
Authors of publication	Thierry Maris
Journal of publication	Personal communication to COD
Year of publication	2015
a	5.7567 ± 0.0002 Å
b	25.8548 ± 0.0011 Å
c	8.7938 ± 0.0004 Å
α	90°
β	100.04 ± 0.002°
γ	90°
Cell volume	1288.81 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0411
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301810 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 3/ Each referenced PubChem compound corresponds to the full crystal structure.	3500024.cif 3500024.hkl
181860	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7.	3500024.cif 3500024.hkl
137673	2015-06-02	cif/ hkl/ Adding structures of 3500024 via cif-deposit CGI script.	3500024.cif 3500024.hkl