Crystallography Open Database

Information card for entry 4501397

Preview

Structure parameters

Common name	naproxen
Formula	C14 H14 O3
Calculated formula	C14 H14 O3
SMILES	O(c1ccc2cc(ccc2c1)C(C(=O)O)C)C
Title of publication	Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form
Authors of publication	Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5659
a	25.8301 ± 0.0013 Å
b	15.4939 ± 0.0004 Å
c	5.9465 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2379.84 ± 0.16 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Goodness-of-fit parameter for all reflections	2.344
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4501397.cif
179544	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13.	4501397.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501397.cif
34885	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501397 via cif-deposit CGI script.	4501397.cif