Crystallography Open Database

Information card for entry 7241471

Preview

Coordinates	7241471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N2 O3
Calculated formula	C13 H18 N2 O3
SMILES	O=C(N/N=C/c1ccccc1O)CCCCCO
Title of publication	Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes
Authors of publication	Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	1
Pages of publication	153 - 162
a	5.3989 ± 0.0003 Å
b	10.1581 ± 0.0005 Å
c	23.3868 ± 0.0012 Å
α	90°
β	90.508 ± 0.002°
γ	90°
Cell volume	1282.54 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.07
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.2082
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261592 (current)	2021-02-05	cif/ Updating files of 7241471, 7241472, 7241473, 7241474, 7241475, 7241476 Original log message: Adding full bibliography for 7241471--7241476.cif.	7241471.cif
259293	2020-11-29	cif/ Adding structures of 7241471, 7241472, 7241473, 7241474, 7241475, 7241476 via cif-deposit CGI script.	7241471.cif