Crystallography Open Database

Information card for entry 7239858

Preview

Coordinates	7239858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N2 O5 S
Calculated formula	C18 H16 N2 O5 S
Title of publication	Regioselective convergent synthesis of 2-arylidene thiazolo[3,2-a]pyrimidines as potential anti-chikungunya agents
Authors of publication	Fares, Mohamed; McCosker, Patrick M.; Alsherbiny, Muhammad A.; Willis, Anthony C.; Clark, Timothy; Neyts, Johan; Jochmans, Dirk; Keller, Paul A.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	9
Pages of publication	5191 - 5195
a	7.8375 ± 0.0003 Å
b	8.2458 ± 0.0003 Å
c	14.5394 ± 0.0007 Å
α	87.176 ± 0.004°
β	74.562 ± 0.004°
γ	73.335 ± 0.004°
Cell volume	867.31 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for all reflections	0.0885
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	0.9978
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258096 (current)	2020-10-06	cif/ Updating files of 7239858 Original log message: Adding full bibliography for 7239858.cif.	7239858.cif
247435	2020-02-01	cif/ Adding structures of 7239858 via cif-deposit CGI script.	7239858.cif