Information card for entry 2217927

Structure parameters

• Chemical name: 2-Hydroxy-N'-[1-(3-methylpyrazin-2-yl)ethylidene]benzohydrazide
• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: N(/N=C(C)/c1nccnc1C)C(=O)c1c(O)cccc1
• Title of publication: 2-Hydroxy-<i>N</i>'-[1-(3-methylpyrazin-2-yl)ethylidene]benzohydrazide
• Authors of publication: Xi-Shi, Tai; Yi-Min, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o707
• a: 12.6326 ± 0.0014 Å
• b: 9.3346 ± 0.001 Å
• c: 22.119 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes