Crystallography Open Database

Information card for entry 7243192

Preview

Coordinates	7243192.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine
Formula	C20 H16 N6
Calculated formula	C20 H16 N6
SMILES	n1c(ccc(/N=N/c2ccccc2)c1)c1nnn(c1)Cc1ccccc1
Title of publication	A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction
Authors of publication	Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	38
Pages of publication	23419 - 23429
a	5.8998 ± 0.0002 Å
b	9.3629 ± 0.0003 Å
c	15.9508 ± 0.0006 Å
α	73.354 ± 0.005°
β	81.87 ± 0.006°
γ	81.835 ± 0.006°
Cell volume	830.9 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267455 (current)	2021-07-10	cif/ Adding structures of 7243191, 7243192 via cif-deposit CGI script.	7243192.cif