Information card for entry 8105505

Structure parameters

• Formula: C11 H8 N4 O2
• Calculated formula: C11 H8 N4 O2
• Title of publication: Crystal structure of (2Z)-2-amino-3-[(E)-[(2,4-dihydroxyphenyl)methylidene]-amino]but-2-enedinitrile, C11H8N4O2
• Authors of publication: Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1499 - 1501
• a: 6.9017 ± 0.0004 Å
• b: 6.9496 ± 0.0002 Å
• c: 11.2372 ± 0.0007 Å
• α: 88.218 ± 0.004°
• β: 76.489 ± 0.005°
• γ: 77.575 ± 0.004°
• Cell volume: 511.69 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No