Information card for entry 4516303

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(\c1ccccc1)c1ccc(cc1)N.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: 9.2815 ± 0.0003 Å
• b: 11.7198 ± 0.0003 Å
• c: 12.2187 ± 0.0003 Å
• α: 94.405 ± 0.001°
• β: 110.971 ± 0.002°
• γ: 113.076 ± 0.002°
• Cell volume: 1104.72 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No