Crystallography Open Database

Information card for entry 2021121

2021120 << 2021121 >> 2021122

Preview

Structure parameters

Chemical name	1-Carboxymethyl-3-ethylimidazolium chloride
Formula	C7 H11 Cl N2 O2
Calculated formula	C7 H11 Cl N2 O2
SMILES	c1n(cc[n+]1CC(=O)O)CC.[Cl-]
Title of publication	Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride
Authors of publication	Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2018
Journal volume	74
Journal issue	6
a	10.2225 ± 0.0016 Å
b	9.6736 ± 0.0016 Å
c	10.2678 ± 0.0017 Å
α	90°
β	112.165 ± 0.008°
γ	90°
Cell volume	940.3 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
207688 (current)	2018-05-08	cif/ hkl/ Adding structures of 2021121 via cif-deposit CGI script.	2021121.cif 2021121.hkl