Crystallography Open Database

Information card for entry 1520153

1520152 << 1520153 >> 1520154

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Coordinates	1520153.cif

Structure parameters

Chemical name	Maleic Acid & 4-Methylimidazole
Formula	C8 H10 N2 O4
Calculated formula	C8 H10 N2 O4
SMILES	C(=O)(/C=C\C(=O)O)[O-].c1[nH]cc(C)[nH+]1
Title of publication	4-Methylimidazolium maleate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	513
a	5.5883 ± 0.0002 Å
b	22.5838 ± 0.0012 Å
c	7.3581 ± 0.0004 Å
α	90°
β	98.578 ± 0.003°
γ	90°
Cell volume	918.24 ± 0.08 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	0.0854
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1520153.cif
137594	2015-06-01	cif/ Adding structures of 1520153 via cif-deposit CGI script.	1520153.cif