Crystallography Open Database

Information card for entry 7236245

Preview

Coordinates	7236245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 N4 O2 S2
Calculated formula	C17 H24 N4 O2 S2
Title of publication	Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies
Authors of publication	Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	93
Pages of publication	90371
a	8.4757 ± 0.0006 Å
b	23.0572 ± 0.0018 Å
c	9.7935 ± 0.0008 Å
α	90°
β	103.534 ± 0.005°
γ	90°
Cell volume	1860.8 ± 0.3 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 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	0.0631
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
235308 (current)	2019-11-23	cif/ Adding structures of 7236245, 7236246 via cif-deposit CGI script.	7236245.cif