Crystallography Open Database

Information card for entry 4518169

Preview

Coordinates	4518169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N2 O6 S
Calculated formula	C14 H16 N2 O6 S
Title of publication	Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives
Authors of publication	Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	43
Pages of publication	27756 - 27765
a	14.784 ± 0.0009 Å
b	6.8291 ± 0.0004 Å
c	16.075 ± 0.0008 Å
α	90°
β	106.46 ± 0.002°
γ	90°
Cell volume	1556.44 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.0586
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for significantly intense reflections	1.2
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
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
258699 (current)	2020-11-04	cif/ Updating files of 4518166, 4518167, 4518168, 4518169 Original log message: Adding full bibliography for 4518166--4518169.cif.	4518169.cif
258557	2020-10-23	cif/ Adding structures of 4518169 via cif-deposit CGI script.	4518169.cif