Crystallography Open Database

Information card for entry 1564633

Preview

Coordinates	1564633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 N O4
Calculated formula	C12 H13 N O4
SMILES	OC(=O)c1ccc(O)c(N/C(C)=C\C(=O)C)c1
Title of publication	Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities
Authors of publication	Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119656
a	4.8639 ± 0.0003 Å
b	16.5889 ± 0.0012 Å
c	13.7485 ± 0.0008 Å
α	90°
β	97.091 ± 0.003°
γ	90°
Cell volume	1100.84 ± 0.12 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.0685
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
269129 (current)	2021-09-14	cif/ Adding structures of 1564630, 1564631, 1564632, 1564633, 1564634 via cif-deposit CGI script.	1564633.cif