Crystallography Open Database

Information card for entry 7209754

7209753 << 7209754 >> 7209755

Preview

Coordinates	7209754.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	D-Prolinium cocrystal of S-Naproxen
Chemical name	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - R-pyrrolidinium-2-carboxylate (1:1)
Formula	C19 H23 N O5
Calculated formula	C19 H23 N O5
Title of publication	On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals
Authors of publication	Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	17
Pages of publication	3341
a	5.7713 ± 0.0002 Å
b	6.252 ± 0.0003 Å
c	23.8346 ± 0.0011 Å
α	90°
β	92.047 ± 0.004°
γ	90°
Cell volume	859.46 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209754.cif
86088	2013-05-09	cif/ Adding structures of 7209753, 7209754, 7209755, 7209756 via cif-deposit CGI script.	7209754.cif