Crystallography Open Database

Information card for entry 7239363

Preview

Coordinates	7239363.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-cyanophenylazo-4-naphthol-piperidinium perchlorate
Chemical name	1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1, 4-dihydronaphthalen-2-yl)methyl)piperidin-1-ium perchlorate
Formula	C23 H23 Cl N4 O5
Calculated formula	C23 H23 Cl N4 O5
Title of publication	Controlled tautomerism ‒ switching caused by an “underground” anionic effect
Authors of publication	Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	47
Pages of publication	25410
a	15.6608 ± 0.0009 Å
b	12.611 ± 0.0005 Å
c	11.6097 ± 0.0007 Å
α	90°
β	108.592 ± 0.004°
γ	90°
Cell volume	2173.2 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0588
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation probe	x-ray
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
244670 (current)	2019-11-28	cif/ Adding structures of 7239362, 7239363, 7239364, 7239365, 7239366, 7239367, 7239368 via cif-deposit CGI script.	7239363.cif