Crystallography Open Database

Information card for entry 4345661

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Structure parameters

Chemical name	2-dimethyl-2-hydroxypropyl) (1-dimethyl-2-hydroxypropyl)amine
Formula	C8 H19 N O2
Calculated formula	C8 H19 N O2
SMILES	OCC(NCC(O)(C)C)(C)C
Title of publication	Introducing Stereogenic Centers to Group XIV Metallatranes.
Authors of publication	Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus
Journal of publication	Inorganic chemistry
Year of publication	2017
a	9.8674 ± 0.0008 Å
b	8.5872 ± 0.0007 Å
c	11.2758 ± 0.0008 Å
α	90°
β	94.214 ± 0.007°
γ	90°
Cell volume	952.85 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0529
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4345661.cif
195331	2017-04-12	cif/ Adding structures of 4345661, 4345662, 4345663, 4345664, 4345665, 4345666 via cif-deposit CGI script.	4345661.cif