Crystallography Open Database

Information card for entry 8107025

Preview

Coordinates	8107025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H31 Cl N2 O2
Calculated formula	C19 H31 Cl N2 O2
SMILES	[Cl-].O(/N=C(C1CCCCC1)\c1ccccc1)CC(O)C[NH2+]C(C)C
Title of publication	Crystal structure of 3-(((cyclohexyl(phenyl)methylidene)amino)oxy)-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride, C19H31ClN2O2
Authors of publication	Ghabbour, Hazem A.; El-Bendary, Eman R.; El-Ashmawy, Mahmoud B.; El-Kerdawy, Mohamed M.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	847 - 848
a	18.228 ± 0.002 Å
b	10.039 ± 0.0011 Å
c	11.0314 ± 0.0012 Å
α	90°
β	107.484 ± 0.003°
γ	90°
Cell volume	1925.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0781
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
282379 (current)	2023-04-05	cif/ Adding structures of 8107025 via cif-deposit CGI script.	8107025.cif