Information card for entry 2213823

Structure parameters

• Chemical name: 4-Hydroxy-3-methoxybenzaldehyde (pyrazin-2-yl)hydrazone
• Formula: C12 H12 N4 O2
• Calculated formula: C12 H12 N4 O2
• SMILES: Oc1ccc(/C=N/Nc2nccnc2)cc1OC
• Title of publication: 4-Hydroxy-3-methoxybenzaldehyde (pyrazin-2-yl)hydrazone
• Authors of publication: Chang-Ying Liu; Jing Hu; Yan-Qiao Zhang; Zhi-Chen Zhu; Ming-Jie Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2888 - o2888
• a: 43.862 ± 0.006 Å
• b: 7.9026 ± 0.0011 Å
• c: 13.4958 ± 0.0019 Å
• α: 90°
• β: 92.783 ± 0.003°
• γ: 90°
• Cell volume: 4672.4 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes