Crystallography Open Database

Information card for entry 4510874

Preview

Coordinates	4510874.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Etiracetam 2,4-dihydroxybenzoic acid cocrystal
Formula	C15 H20 N2 O6
Calculated formula	C15 H20 N2 O6
Title of publication	Does Chirality Influence the Tendency toward Cocrystal Formation?
Authors of publication	George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	2880
a	6.60584 ± 0.00003 Å
b	13.11919 ± 0.00007 Å
c	18.80723 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	1629.9 ± 0.013 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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 R(I) for significantly intense reflections	12.3722
Goodness-of-fit parameter for all reflections	2.9361
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.775045 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510874.cif
119067	2014-07-05	cif/ Updating files of 4510871, 4510872, 4510873, 4510874, 4510875, 4510876, 4510877, 4510878, 4510879, 4510880 Original log message: Adding full bibliography for 4510871--4510880.cif.	4510874.cif
113790	2014-05-15	cif/ Adding structures of 4510871, 4510872, 4510873, 4510874, 4510875, 4510876, 4510877, 4510878, 4510879, 4510880 via cif-deposit CGI script.	4510874.cif