Crystallography Open Database

Information card for entry 7052026

7052025 << 7052026 >> 7052027

Preview

Coordinates	7052026.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[C2mim][NMes2]
Chemical name	3-ethyl-1-methylimidazolium bis(methanesulfonyl)amide
Formula	C8 H17 N3 O4 S2
Calculated formula	C8 H17 N3 O4 S2
SMILES	n1(c[n+](cc1)CC)C.S(=O)(=O)(N=S(=O)([O-])C)C
Title of publication	Interactions in bisamide ionic liquids—insights from a Hirshfeld surface analysis of their crystalline states
Authors of publication	Dean, Pamela M.; Pringle, Jennifer M.; Forsyth, Craig M.; Scott, Janet L.; MacFarlane, Douglas R.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	12
Pages of publication	2121
a	6.2135 ± 0.0002 Å
b	13.7443 ± 0.0004 Å
c	7.8355 ± 0.0002 Å
α	90°
β	106.172 ± 0.002°
γ	90°
Cell volume	642.67 ± 0.03 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
180074 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/20.	7052026.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052026.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052026.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7052026.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7052026.cif