Crystallography Open Database

Information card for entry 1520173

1520172 << 1520173 >> 1520174

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Coordinates	1520173.cif

Structure parameters

Chemical name	Maleic acid and 2-imidazolidinone
Formula	C11 H14 N2 O9
Calculated formula	C11 H14 N2 O9
SMILES	C(=O)(/C=C\C(=O)O)O.C1(=O)NCCN1.C(=O)(/C=C\C(=O)O)O
Title of publication	Maleic 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	514
a	31.3779 ± 0.0013 Å
b	12.3307 ± 0.0006 Å
c	7.16 ± 0.0003 Å
α	90°
β	92.968 ± 0.002°
γ	90°
Cell volume	2766.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1648
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.2044
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	1520173.cif
137620	2015-06-01	cif/ Adding structures of 1520173 via cif-deposit CGI script.	1520173.cif