Information card for entry 2208155

Structure parameters

• Chemical name: 2',2'-Dibenzylideneisophthalohydrazide methanol solvate
• Formula: C23 H22 N4 O3
• Calculated formula: C23 H22 N4 O3
• SMILES: c1(ccccc1)C=NNC(=O)c1cc(ccc1)C(=O)N\N=C\c1ccccc1.CO
• Title of publication: 2',2'-Dibenzylideneisophthalohydrazide methanol solvate
• Authors of publication: Xue, Min; Liu, Shi-Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o759 - o761
• a: 20.168 ± 0.004 Å
• b: 14.737 ± 0.003 Å
• c: 16.357 ± 0.003 Å
• α: 90°
• β: 116.54 ± 0.03°
• γ: 90°
• Cell volume: 4349.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes