Crystallography Open Database

Information card for entry 2241891

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>,<i>N</i>-Triethylhydroxylammonium chloride
Formula	C6 H16 Cl N O
Calculated formula	C6 H16 Cl N O
SMILES	[Cl-].O[N+](CC)(CC)CC
Title of publication	Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>-triethylhydroxylammonium chloride
Authors of publication	Averkiev, Boris B.; Valencia, Bianca C.; Getmanenko, Yulia A.; Timofeeva, Tatiana V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	11
Pages of publication	1607 - 1609
a	12.816 ± 0.005 Å
b	6.371 ± 0.003 Å
c	10.439 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	852.4 ± 0.6 Å³
Cell temperature	215 ± 2 K
Ambient diffraction temperature	215 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2241891.cif 2241891.hkl
187490	2016-10-22	cif/ hkl/ Adding structures of 2241891 via cif-deposit CGI script.	2241891.cif 2241891.hkl