Crystallography Open Database

Information card for entry 1566066

Preview

Coordinates	1566066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N4 S
Calculated formula	C10 H10 N4 S
SMILES	C1(=NCCS1)n1c(nc2ccccc12)N
Title of publication	Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies
Authors of publication	Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.
Journal of publication	Polyhedron
Year of publication	2021
Journal volume	207
Pages of publication	115390
a	7.26 ± 0.0005 Å
b	7.8108 ± 0.0005 Å
c	18.1459 ± 0.0013 Å
α	90°
β	96.937 ± 0.001°
γ	90°
Cell volume	1021.46 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0562
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
272158 (current)	2022-01-20	cif/ Adding structures of 1566066, 1566067, 1566068 via cif-deposit CGI script.	1566066.cif