Crystallography Open Database

Information card for entry 4507672

Preview

Coordinates	4507672.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-dimethylimidazolium chloride
Formula	C10 H17 Cl N4
Calculated formula	C10 H17 Cl N4
SMILES	[Cl-].n1(c([nH+]cc1)C)C.n1(c(ncc1)C)C
Title of publication	Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior
Authors of publication	Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	965
a	13.737 ± 0.004 Å
b	9.975 ± 0.003 Å
c	8.836 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1210.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179612 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76.	4507672.cif
85614	2013-05-07	cif/ Adding structures of 4507669, 4507670, 4507671, 4507672, 4507673 via cif-deposit CGI script.	4507672.cif