Crystallography Open Database

Information card for entry 1520174

1520173 << 1520174 >> 1520175

Preview

Coordinates	1520174.cif

Structure parameters

Chemical name	maleic acid and 1-methylimidazole
Formula	C8 H10 N2 O4
Calculated formula	C8 H10 N2 O4
SMILES	C(=O)(C[C@H](C(=O)[O-])[n+]1cn(cc1)C)O
Title of publication	Maleic acid + 1-methylimidazole
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	523
a	7.711 ± 0.0002 Å
b	8.285 ± 0.0004 Å
c	13.844 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	884.43 ± 0.06 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	0.0637
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
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.	1520174.cif
137621	2015-06-01	cif/ Adding structures of 1520174 via cif-deposit CGI script.	1520174.cif