Information card for entry 4516304

Structure parameters

• Chemical name: (E)-N'-((4-aminophenyl)(phenyl)methylene)isonicotinohydrazide)_(salicylic acid)
• Formula: C26 H22 N4 O4
• Calculated formula: C26 H22 N4 O4
• SMILES: c1(ccncc1)C(=O)N/N=C(c1ccc(cc1)N)/c1ccccc1.c1(c(cccc1)O)C(=O)O
• Title of publication: Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives
• Authors of publication: Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3813
• a: 7.8452 ± 0.0003 Å
• b: 10.7034 ± 0.0004 Å
• c: 13.1775 ± 0.0005 Å
• α: 90°
• β: 93.234 ± 0.003°
• γ: 90°
• Cell volume: 1104.76 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No