Crystallography Open Database

Information card for entry 7229205

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Structure parameters

Formula	C2 H7 N O3
Calculated formula	C2 H7 N O3
SMILES	[O-]C(=O)C.O[NH3+]
Title of publication	Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions
Authors of publication	Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.
Journal of publication	Phys. Chem. Chem. Phys.
Year of publication	2017
a	7.3033 ± 0.0005 Å
b	8.6135 ± 0.0006 Å
c	6.8992 ± 0.0004 Å
α	90°
β	99.565 ± 0.003°
γ	90°
Cell volume	427.97 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0338
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7229205.cif
201022	2017-09-19	cif/ Adding structures of 7229205, 7229206, 7229207, 7229208, 7229209 via cif-deposit CGI script.	7229205.cif