Information card for entry 7159284

Structure parameters

• Chemical name: Sensitive Hydrazine Detection and Quantification with a Fluorescent Benzothiadiazole Probe: Selective Cellular and Multicellular Imaging.
• Formula: C20 H14 N2 O2 S
• Calculated formula: C20 H14 N2 O2 S
• SMILES: s1nc2c(n1)c(c1ccc(OC)cc1)ccc2c1ccc(cc1)C=O
• Title of publication: Sensitive hydrazine detection and quantification with a fluorescent benzothiadiazole sensor: selective lipid droplets and <i>in vivo</i> imaging.
• Authors of publication: Santos, Camila O.; Passos, Saulo T. A.; Sorto, Jenny E. P.; Machado, Daniel F. S.; Correa, Jose R.; da Silva Júnior, Eufrânio N; Rodrigues, Marcelo O.; Neto, Brenno A. D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4606 - 4619
• a: 10.001 ± 0.0017 Å
• b: 17.669 ± 0.003 Å
• c: 9.0754 ± 0.0016 Å
• α: 90°
• β: 98.913 ± 0.017°
• γ: 90°
• Cell volume: 1584.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2507
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.3109
• Weighted residual factors for all reflections included in the refinement: 0.3918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No