Information card for entry 2243293

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(4-nitrobenzylidene)aniline
• Formula: C13 H9 Cl N2 O2
• Calculated formula: C13 H9 Cl N2 O2
• Title of publication: Whole-molecule disorder of the Schiff base compound 4-chloro-<i>N</i>-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis
• Authors of publication: Leela, Sundararaman; Subashini, Ashokkumar; Reji, Philip; Ramamurthi, Kandasami; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 417 - 422
• a: 3.8195 ± 0.0005 Å
• b: 22.826 ± 0.004 Å
• c: 13.6381 ± 0.0019 Å
• α: 90°
• β: 92.829 ± 0.011°
• γ: 90°
• Cell volume: 1187.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes