Information card for entry 1563999

Structure parameters

• Chemical name: 1-Benzyl-3-hydroxy-2-methylpyridine-4(1H)-selenone
• Formula: C13 H13 N O Se
• Calculated formula: C13 H13 N O Se
• SMILES: [Se]=C1C(O)=C(N(C=C1)Cc1ccccc1)C
• Title of publication: First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations
• Authors of publication: Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119919
• a: 7.1172 ± 0.0004 Å
• b: 8.2231 ± 0.0005 Å
• c: 11.2069 ± 0.0006 Å
• α: 109.332 ± 0.002°
• β: 95.12 ± 0.003°
• γ: 107.446 ± 0.002°
• Cell volume: 577.35 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No