Crystallography Open Database

Information card for entry 1519996

1519995 << 1519996 >> 1519997

Preview

Coordinates	1519996.cif
External links	PubChem

Structure parameters

Chemical name	L-Tartaric Acid and 1,2-dimethylimidazole
Formula	C9 H14 N2 O6
Calculated formula	C9 H14 N2 O6
SMILES	C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.c1(C)n(cc[nH+]1)C
Title of publication	1,2-Dimethylimidazolium L-tartrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	516
a	7.6534 ± 0.0008 Å
b	6.9693 ± 0.0007 Å
c	10.5603 ± 0.001 Å
α	90°
β	104.616 ± 0.005°
γ	90°
Cell volume	545.05 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0826
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519996.cif
176428	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.	1519996.cif
137380	2015-05-26	cif/ Adding structures of 1519996 via cif-deposit CGI script.	1519996.cif