Crystallography Open Database

Information card for entry 7239362

Preview

Coordinates	7239362.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-((4-hydroxy-3-(piperidin-1-ylmethyl)naphthalen-1-yl)diazenyl)benzonitrile
Formula	C23 H22 N4 O
Calculated formula	C23 H22 N4 O
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	5.0932 ± 0.0006 Å
b	11.5499 ± 0.0014 Å
c	16.654 ± 0.002 Å
α	92.331 ± 0.01°
β	93.567 ± 0.01°
γ	101.183 ± 0.01°
Cell volume	957.8 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
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.	7239362.cif