Information card for entry 2209756

Structure parameters

• Chemical name: Pyrazine-2-carboxylic acid (4-dimethylaminobenzylidene)hydrazide
• Formula: C14 H15 N5 O
• Calculated formula: C14 H15 N5 O
• SMILES: O=C(NN=Cc1ccc(N(C)C)cc1)c1nccnc1
• Title of publication: 2'-(4-Dimethylaminobenzylidene)pyrazine-2-carbohydrazide
• Authors of publication: Xue-Fang Shi; Cui-Cui Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3290 - o3291
• a: 6.049 ± 0.002 Å
• b: 10.142 ± 0.004 Å
• c: 11.047 ± 0.004 Å
• α: 92.547 ± 0.006°
• β: 96.063 ± 0.006°
• γ: 101.286 ± 0.006°
• Cell volume: 659.4 ± 0.4 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: 0.0811
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes