Crystallography Open Database

Information card for entry 7235094

Preview

Coordinates	7235094.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RS-naproxen DL-proline 1:1 cocrystal, polymorph II
Chemical name	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II
Formula	C19 H23 N O5
Calculated formula	C19 H23 N O5
Title of publication	Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals
Authors of publication	Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	45
Pages of publication	7308
a	34.537 ± 0.004 Å
b	9.0077 ± 0.0008 Å
c	5.7183 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1779 ± 0.3 Å³
Cell temperature	428 K
Ambient diffraction temperature	428 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor R(I) for significantly intense reflections	8.76
Goodness-of-fit parameter for all reflections	72.47
Method of determination	powder diffraction
Diffraction radiation wavelength	0.78487 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227795 (current)	2019-11-14	cif/ Adding structures of 7235091, 7235092, 7235093, 7235094, 7235095, 7235096, 7235097, 7235098, 7235099, 7235100, 7235101, 7235102, 7235103, 7235104 via cif-deposit CGI script.	7235094.cif