Information card for entry 4516302

Structure parameters

• Chemical name: ((E)-N'-((4-(dimethylamino)phenyl)(phenyl)methylene)isonicotinohydrazide)_ (salicylic acid)
• Formula: C28 H26 N4 O4
• Calculated formula: C28 H26 N4 O4
• SMILES: c1(ccncc1)C(=O)N/N=C(c1ccccc1)/c1ccc(cc1)N(C)C.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: 7.0057 ± 0.0004 Å
• b: 11.5495 ± 0.0007 Å
• c: 15.6046 ± 0.0009 Å
• α: 87.598 ± 0.004°
• β: 82.792 ± 0.004°
• γ: 72.85 ± 0.003°
• Cell volume: 1196.91 ± 0.12 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: 0.1158
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No