Information card for entry 7059809

Structure parameters

• Chemical name: 3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea
• Formula: C14 H13 N5 O2
• Calculated formula: C14 H13 N5 O2
• Title of publication: Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides
• Authors of publication: Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13357 - 13367
• a: 7.7355 ± 0.0005 Å
• b: 9.1187 ± 0.0005 Å
• c: 9.7039 ± 0.0005 Å
• α: 93.758 ± 0.005°
• β: 93.79 ± 0.005°
• γ: 92.877 ± 0.005°
• Cell volume: 680.5 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No