Crystallography Open Database

Information card for entry 8104843

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Coordinates	8104843.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	<i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride
Chemical name	<i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride
Formula	C6 H15 Cl2 N
Calculated formula	C6 H15 Cl2 N
Title of publication	The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
Authors of publication	Muller, Kina; Hosten, Eric C.; Betz, Richard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	397 - 399
a	6.9579 ± 0.0004 Å
b	8.1852 ± 0.0005 Å
c	8.7912 ± 0.0005 Å
α	66.606 ± 0.002°
β	86.105 ± 0.003°
γ	89.834 ± 0.002°
Cell volume	458.3 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.024
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273926 (current)	2022-03-23	cif/ Adding structures of 8104843 via cif-deposit CGI script.	8104843.cif