Information card for entry 1549899

Structure parameters

• Chemical name: Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate
• Formula: C15 H14 N4 O3
• Calculated formula: C15 H14 N4 O3
• SMILES: O(C(=O)c1ccc(C(=O)N/N=C(/c2nccnc2)C)cc1)C
• Title of publication: Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate
• Authors of publication: Wang, Zhaodong; Ni, Haitao
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: x181230
• a: 5.859 ± 0.005 Å
• b: 7.479 ± 0.006 Å
• c: 16.329 ± 0.014 Å
• α: 93.818 ± 0.012°
• β: 91.29 ± 0.03°
• γ: 94.252 ± 0.01°
• Cell volume: 711.7 ± 1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes