Information card for entry 2311674

Structure parameters

• Common name: p-nitrobenzylidene-p-phenylaminoaniline
• Chemical name: N-[4-(4-Nitrobenzylideneamino)phenyl]phenylamine
• Formula: C19 H15 N3 O2
• Calculated formula: C19 H15 N3 O2
• SMILES: c1(ccc(cc1)/C=N/c1ccc(cc1)Nc1ccccc1)N(=O)=O
• Title of publication: Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.
• Authors of publication: Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 4
• Pages of publication: 416 - 426
• a: 10.3885 ± 0.0003 Å
• b: 16.7902 ± 0.0004 Å
• c: 8.9064 ± 0.0002 Å
• α: 90°
• β: 97.704 ± 0.002°
• γ: 90°
• Cell volume: 1539.48 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No