Crystallography Open Database

Information card for entry 1519997

1519996 << 1519997 >> 1519998

Preview

Coordinates	1519997.cif
External links	PubChem

Structure parameters

Chemical name	Adipic Acid and 2-Methylimidazole
Formula	C10 H18 N2 O5
Calculated formula	C10 H18 N2 O5
Title of publication	2-Methylimidazolium hemiadipate hemiadipic acid hydrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	521
a	4.8629 ± 0.0003 Å
b	7.9978 ± 0.0005 Å
c	16.5263 ± 0.0011 Å
α	96.951 ± 0.001°
β	94.475 ± 0.001°
γ	107.384 ± 0.001°
Cell volume	604.44 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	1519997.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.	1519997.cif
137381	2015-05-26	cif/ Adding structures of 1519997 via cif-deposit CGI script.	1519997.cif