Information card for entry 8105995

Structure parameters

• Formula: C24 H19 N3 O2
• Calculated formula: C24 H19 N3 O2
• SMILES: O=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)c1ccncc1.OC
• Title of publication: Crystal structure of (E)-N′-((1,6-dihydropyren-1-yl)methylene)isonicotinohydrazide — methanol (1/1), C24H19N3O2
• Authors of publication: Wang, Lili
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1249 - 1250
• a: 11.0629 ± 0.0002 Å
• b: 10.4583 ± 0.0002 Å
• c: 16.0432 ± 0.0003 Å
• α: 90°
• β: 92.373 ± 0.002°
• γ: 90°
• Cell volume: 1854.59 ± 0.06 ų
• Cell temperature: 116.2 ± 0.3 K
• Ambient diffraction temperature: 116.2 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No