Crystallography Open Database

Information card for entry 1520258

1520257 << 1520258 >> 1520259

Preview

Coordinates	1520258.cif

Structure parameters

Chemical name	Succinic Acid & 2-pyrrolidinone
Formula	C12 H20 N2 O6
Calculated formula	C12 H20 N2 O6
SMILES	OC(=O)CCC(=O)O.O=C1NCCC1.O=C1NCCC1
Title of publication	Succinic Acid Di-2-pyrrolidinone
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	466
a	5.749 ± 0.003 Å
b	6.541 ± 0.003 Å
c	9.903 ± 0.005 Å
α	80.4 ± 0.02°
β	78.7 ± 0.02°
γ	71.71 ± 0.03°
Cell volume	344.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1812
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.2185
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520258.cif
137884	2015-06-04	cif/ Adding structures of 1520258 via cif-deposit CGI script.	1520258.cif