Information card for entry 1567599

Structure parameters

• Formula: C16 H20 Cl N3 S
• Calculated formula: C16 H20 Cl N3 S
• Title of publication: Synthesis and Biological Evaluation of Thiazole-Based Derivatives with Potential against Breast Cancer and Antimicrobial Agents
• Authors of publication: Pivovarova, Ekaterina; Climova, Alina; Świątkowski, Marcin; Staszewski, Marek; Walczyński, Krzysztof; Dzięgielewski, Marek; Bauer, Marta; Kamysz, Wojciech; Krześlak, Anna; Jóźwiak, Paweł; Czylkowska, Agnieszka
• Journal of publication: International Journal of Molecular Sciences
• Year of publication: 2022
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 9844
• a: 11.6247 ± 0.0001 Å
• b: 17.1959 ± 0.0001 Å
• c: 8.2511 ± 0.0001 Å
• α: 90°
• β: 109.867 ± 0.001°
• γ: 90°
• Cell volume: 1551.21 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0256
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No