Crystallography Open Database

Information card for entry 7244943

Preview

Coordinates	7244943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N4 S
Calculated formula	C28 H24 N4 S
SMILES	s1c(nc(c1N(c1ccc(cc1)C)c1ccc(cc1)C)c1ncccc1)c1ncc(cc1)C
Title of publication	5-N-Arylaminothiazoles with pyridyl groups and their first-row transition metal complexes: synthesis, photophysical properties, and Zn sensing
Authors of publication	Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	23
Pages of publication	14698 - 14706
a	9.407 ± 0.003 Å
b	11.689 ± 0.004 Å
c	12.393 ± 0.004 Å
α	115.971 ± 0.004°
β	102.307 ± 0.002°
γ	91.501 ± 0.002°
Cell volume	1185.8 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.06
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275473 (current)	2022-05-17	cif/ Adding structures of 7244943, 7244944 via cif-deposit CGI script.	7244943.cif