Crystallography Open Database

Information card for entry 8104808

Preview

Coordinates	8104808.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-chloro-2-(dimethylamino)ethane hydrochloride
Chemical name	1-chloro-2-(dimethylamino)ethane hydrochloride
Formula	C4 H11 Cl2 N
Calculated formula	C4 H11 Cl2 N
Title of publication	The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
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	287 - 289
a	13.2374 ± 0.0012 Å
b	8.2108 ± 0.0006 Å
c	14.0114 ± 0.0014 Å
α	90°
β	93.294 ± 0.008°
γ	90°
Cell volume	1520.4 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273809 (current)	2022-03-18	cif/ Adding structures of 8104808 via cif-deposit CGI script.	8104808.cif