Crystallography Open Database

Information card for entry 1520191

1520190 << 1520191 >> 1520192

Preview

Coordinates	1520191.cif

Structure parameters

Chemical name	DL-tartaric acid & 1,2-dimethylimidazole
Formula	C9 H14 N2 O6
Calculated formula	C9 H14 N2 O6
SMILES	O[C@H](C(=O)[O-])[C@H](O)C(=O)O.n1(c([nH+]cc1)C)C.O[C@@H](C(=O)[O-])[C@@H](O)C(=O)O.n1(c([nH+]cc1)C)C
Title of publication	1,2-Dimethylimidazolium DL-tartrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	460
a	7.5275 ± 0.0003 Å
b	9.4025 ± 0.0004 Å
c	9.9908 ± 0.0004 Å
α	64.266 ± 0.002°
β	68.172 ± 0.002°
γ	74.175 ± 0.002°
Cell volume	586.06 ± 0.04 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	0.124
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2705
Weighted residual factors for all reflections included in the refinement	0.2858
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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.	1520191.cif
137650	2015-06-02	cif/ Adding structures of 1520191 via cif-deposit CGI script.	1520191.cif