Information card for entry 2242557

Structure parameters

• Chemical name: Ethyl (<i>E</i>)-4-[(4-Hydroxy-3-methoxy-5-nitrobenzylidene)amino]benzoate
• Formula: C17 H16 N2 O6
• Calculated formula: C17 H16 N2 O6
• Title of publication: Crystal structure and Hirshfeld surface analysis of ethyl (<i>E</i>)-4-[(4-hydroxy-3-methoxy-5-nitrobenzylidene)amino]benzoate
• Authors of publication: Victoria, Antony Samy; Sivajeyanthi, Palaniyappan; Elangovan, Natarajan; Balasubramani, Kasthuri; Kolochi, Thathan; Thanikasalam, Kanagasabapathy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1079 - 1082
• a: 4.7565 ± 0.0003 Å
• b: 11.3377 ± 0.0009 Å
• c: 15.759 ± 0.0013 Å
• α: 70.415 ± 0.004°
• β: 87.23 ± 0.004°
• γ: 85.238 ± 0.004°
• Cell volume: 797.73 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0969
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes