Crystallography Open Database

Information card for entry 7249148

Preview

Coordinates	7249148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.4 H19.8 Cl N4 O4.2 S3
Calculated formula	C20 H15 Cl N4 O3 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	10.27 ± 0.002 Å
b	10.497 ± 0.002 Å
c	13.887 ± 0.003 Å
α	73.266 ± 0.007°
β	81.446 ± 0.007°
γ	85.763 ± 0.006°
Cell volume	1417 ± 0.5 Å³
Cell temperature	299.18 K
Ambient diffraction temperature	299.18 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7249148.cif