Information card for entry 7249148

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 ų
• 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 Fobs: No