Information card for entry 8105065

Structure parameters

• Formula: C21 H25 N9 O4
• Calculated formula: C21 H25 N9 O4
• Title of publication: Crystal structure of N′2,N′6-bis((E)-1-(pyrazin-2-yl)ethylidene)pyridine-2,6-dicarbohydrazide — methanol (1/2), C21H25N9O4
• Authors of publication: Xiangqing, Fang; Ren, Wang; Kai, Du; Jia, Gu; Liguo, Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 223 - 224
• a: 10.277 ± 0.003 Å
• b: 10.081 ± 0.003 Å
• c: 11.264 ± 0.004 Å
• α: 90°
• β: 104.582 ± 0.004°
• γ: 90°
• Cell volume: 1129.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No