Crystallography Open Database

Information card for entry 2244136

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Structure parameters

Common name	1,3-Bis{[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene
Chemical name	2-{[(3-{[Bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylphenyl)methyl](2-hydroxyethyl)amino}ethan-1-ol
Formula	C30 H50 N4 O4
Calculated formula	C30 H50 N4 O4
Title of publication	Synthesis and crystal structure of 1,3-bis{[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene
Authors of publication	Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	8
a	14.2508 ± 0.0003 Å
b	15.3046 ± 0.0004 Å
c	15.2593 ± 0.0003 Å
α	90°
β	113.311 ± 0.0013°
γ	90°
Cell volume	3056.43 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0736
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
276959 (current)	2022-07-27	cif/ hkl/ Adding structures of 2244136 via cif-deposit CGI script.	2244136.cif 2244136.hkl