Crystallography Open Database

Information card for entry 7249149

Preview

Coordinates	7249149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cl2 N4 O3 S4
Calculated formula	C19 H12 Cl2 N4 O2 S3
Title of publication	Synthesis and antiproliferative potency of 1,3,4-thiadiazole and 1,3-thiazolidine-4-one based new binary heterocyclic molecules: in vitro cell-based anticancer studies
Authors of publication	Maji, Avik; Himaja, Ambati; Nikhitha, Sripathi; Rana, Soumitra; Paul, Abhik; Samanta, Ajeya; Shee, Uday; Mukhopadhyay, Chhanda; Ghosh, Balaram; Maity, Tapan Kumar
Journal of publication	RSC Medicinal Chemistry
Year of publication	2024
a	10.146 ± 0.002 Å
b	17.022 ± 0.005 Å
c	15.237 ± 0.004 Å
α	90°
β	101.398 ± 0.007°
γ	90°
Cell volume	2579.6 ± 1.1 Å³
Cell temperature	298.95 K
Ambient diffraction temperature	298.95 K
Number of distinct elements	6
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	0.11
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1938
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
293610 (current)	2024-08-01	cif/ Adding structures of 7249148, 7249149 via cif-deposit CGI script.	7249149.cif