Information card for entry 7249149

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 ų
• 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 Fobs: No