Crystallography Open Database

Information card for entry 1520209

1520208 << 1520209 >> 1520210

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Coordinates	1520209.cif

Structure parameters

Chemical name	Succinic acid & 1,2-dimethylimidazole
Formula	C9 H14 N2 O4
Calculated formula	C9 H14 N2 O4
SMILES	C(=O)(CCC(=O)[O-])O.c1(C)n(cc[nH+]1)C
Title of publication	1,2-Dimethylimidazolium succinate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	461
a	20.5769 ± 0.0012 Å
b	7.3521 ± 0.0004 Å
c	14.0383 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2123.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520209.cif
137669	2015-06-02	cif/ Adding structures of 1520209 via cif-deposit CGI script.	1520209.cif