Crystallography Open Database

Information card for entry 1520175

1520174 << 1520175 >> 1520176

Preview

Coordinates	1520175.cif
External links	PubChem

Structure parameters

Chemical name	L-tartaric acid and 2-imidazolidinone
Formula	C7 H12 N2 O7
Calculated formula	C7 H12 N2 O7
SMILES	C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C1(=O)NCCN1
Title of publication	L-Tartaric acid 2-imidazolidinone
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	527
a	5.388 ± 0.0013 Å
b	9.921 ± 0.003 Å
c	18.265 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	976.3 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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 for all reflections	0.0322
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.6895 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520175.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.	1520175.cif
137622	2015-06-01	cif/ Adding structures of 1520175 via cif-deposit CGI script.	1520175.cif