Information card for entry 2021411

Structure parameters

• Chemical name: 2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium nitrate dihydrate
• Formula: C19 H21 N5 O6
• Calculated formula: C19 H21 N5 O6
• 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: 9.5556 ± 0.0004 Å
• b: 9.305 ± 0.0004 Å
• c: 22.2715 ± 0.001 Å
• α: 90°
• β: 96.048 ± 0.002°
• γ: 90°
• Cell volume: 1969.25 ± 0.15 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: 0.1052
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes