Information card for entry 4516301

Structure parameters

• Chemical name: ((E)-N'-(phenyl(p-tolyl)methylene)isonicotinohydrazide)_(salicyclic acid),
• Formula: C27 H23 N3 O4
• Calculated formula: C27 H23 N3 O4
• SMILES: c1(ccncc1)C(=O)N/N=C(\c1ccccc1)c1ccc(cc1)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: 6.6193 ± 0.0002 Å
• b: 12.3234 ± 0.0003 Å
• c: 14.418 ± 0.0003 Å
• α: 98.727 ± 0.002°
• β: 98.596 ± 0.002°
• γ: 100.665 ± 0.002°
• Cell volume: 1123.17 ± 0.05 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: 0.0735
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No