Information card for entry 8105949

Structure parameters

• Formula: C23 H15 N3 O
• Calculated formula: C23 H15 N3 O
• SMILES: O=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)c1ncccc1
• Title of publication: Crystal structure of (E)-N′-((1,8-dihydropyren-1-yl)-methylene)picolinohydrazide, C23H15N3O
• Authors of publication: Huanhuan, Yang; Qingqing, Xu; Haodong, Feng; Yuan, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1103 - 1104
• a: 14.4372 ± 0.0003 Å
• b: 11.9366 ± 0.0002 Å
• c: 10.23409 ± 0.00019 Å
• α: 90°
• β: 106.963 ± 0.002°
• γ: 90°
• Cell volume: 1686.92 ± 0.06 ų
• Cell temperature: 115.2 ± 0.3 K
• Ambient diffraction temperature: 115.2 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No