Information card for entry 7056533

Structure parameters

• Common name: azine
• Chemical name: (1E,2E)-1-(4-ethoxybenzylidene)-2-(1-(4-nitrophenyl)ethylidene)hydrazine
• Formula: C17 H17 N3 O3
• Calculated formula: C17 H17 N3 O3
• SMILES: O(c1ccc(cc1)/C=N/N=C(/c1ccc(N(=O)=O)cc1)C)CC
• Title of publication: Solid State Structure and Environmental Polarization Effect of a Novel Asymmetric Azine
• Authors of publication: Valverde, Clodoaldo; Fonseca Vaz, Wesley; Custódio, Jean; Duarte, Vitor; Carvalho Jr, Paulo de Sousa; Figueredo, Andreza; Aquino, Gilberto Lúcio Benedito; Baseia, Basilio; Napolitano, Hamilton
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 9.347 Å
• b: 9.949 Å
• c: 10.194 Å
• α: 106.19°
• β: 101.69°
• γ: 110.1°
• Cell volume: 806.765 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: 0.078
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No