Information card for entry 8106068

Structure parameters

• Formula: C11 H9 N5 O
• Calculated formula: C11 H9 N5 O
• Title of publication: The crystal structure of (E)-N′-(pyridin-2-ylmethylene)pyrazine-2-carbohydrazide, C11H9N5O
• Authors of publication: Xi-Shi, Tai; Peng-Fei, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 121 - 122
• a: 14.203 ± 0.003 Å
• b: 11.036 ± 0.002 Å
• c: 14.303 ± 0.003 Å
• α: 90°
• β: 109.91 ± 0.03°
• γ: 90°
• Cell volume: 2107.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No