Crystallography Open Database

Information card for entry 2239025

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Structure parameters

Chemical name	<i>N</i>^1^,<i>N</i>^2^-Dimethylethane-1,2-diaminium dichloride
Formula	C4 H14 Cl2 N2
Calculated formula	C4 H14 Cl2 N2
SMILES	C[NH2+]CC[NH2+]C.[Cl-].[Cl-]
Title of publication	<i>N</i>^1^,<i>N</i>^2^-Dimethylethane-1,2-diaminium dichloride
Authors of publication	Merola, Joseph S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o216
a	18.108 ± 0.002 Å
b	5.104 ± 0.001 Å
c	5.08 ± 0.001 Å
α	90°
β	105.09 ± 0.03°
γ	90°
Cell volume	453.32 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
181890 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90.	2239025.cif 2239025.hkl
181309	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90.	2239025.cif 2239025.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239025.cif 2239025.hkl
104857	2014-03-11	cif/ hkl/ Adding structures of 2239025 via cif-deposit CGI script.	2239025.cif 2239025.hkl