Information card for entry 2238616

Structure parameters

• Chemical name: 4-{(<i>E</i>)-[2-(Pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenyl acetate
• Formula: C15 H13 N3 O3
• Calculated formula: C15 H13 N3 O3
• SMILES: CC(=O)Oc1ccc(cc1)/C=N/NC(=O)c1cccnc1
• Title of publication: 4-{(<i>E</i>)-[2-(Pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenyl acetate
• Authors of publication: Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1549
• a: 16.347 ± 0.004 Å
• b: 5.0859 ± 0.001 Å
• c: 18.408 ± 0.005 Å
• α: 90°
• β: 115.311 ± 0.009°
• γ: 90°
• Cell volume: 1383.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No