Information card for entry 4516300

Structure parameters

• Chemical name: (N'-(di-p-tolylmethylene)isonicotinohydrazide)_(salicylic acid) Form II
• Formula: C28 H25 N3 O4
• Calculated formula: C28 H25 N3 O4
• SMILES: c1(ccncc1)C(=O)NN=C(c1ccc(cc1)C)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: 8.252 ± 0.0003 Å
• b: 11.2852 ± 0.0004 Å
• c: 12.9411 ± 0.0005 Å
• α: 77.516 ± 0.002°
• β: 85.88 ± 0.002°
• γ: 82.91 ± 0.002°
• Cell volume: 1166.39 ± 0.08 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: 0.0578
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No