Crystallography Open Database

Information card for entry 2243950

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Structure parameters

Common name	<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethanediamine
Chemical name	<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethane-1,2-diamine
Formula	C6 H16 N2
Calculated formula	C6 H16 N2
SMILES	CN(C)CCN(C)C
Title of publication	Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethanediamine
Authors of publication	Schrimpf, Tobias; Otte, Felix; Strohmann, Carsten
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	1
a	5.6987 ± 0.0013 Å
b	8.311 ± 0.002 Å
c	8.453 ± 0.002 Å
α	90°
β	106.954 ± 0.009°
γ	90°
Cell volume	382.95 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
271439 (current)	2021-12-15	cif/ hkl/ Adding structures of 2243950 via cif-deposit CGI script.	2243950.cif 2243950.hkl