Information card for entry 2021409

Structure parameters

• Chemical name: 4-Phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide
• Formula: C19 H16 N4 O
• Calculated formula: C19 H16 N4 O
• SMILES: O=C(N/N=C(c1ncccc1)\c1ccccc1)Nc1ccccc1
• Title of publication: Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions
• Authors of publication: Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 1 - 7
• a: 5.6126 ± 0.0003 Å
• b: 10.0683 ± 0.0004 Å
• c: 27.2349 ± 0.0012 Å
• α: 90°
• β: 90.095 ± 0.002°
• γ: 90°
• Cell volume: 1539.02 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0617
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes