Information card for entry 2203488

Structure parameters

• Chemical name: 4-(N,N-Di-4-tolylamino)benzaldehyde (3-pyridylcarbonyl)hydrazone monohydrate
• Formula: C27 H26 N4 O2
• Calculated formula: C27 H26 N4 O2
• SMILES: n1cc(ccc1)C(=O)N\N=C\c1ccc(N(c2ccc(cc2)C)c2ccc(cc2)C)cc1.O
• Title of publication: 4-(<i>N,N</i>-Di-4-tolylamino)benzaldehyde (3-pyridylcarbonyl)hydrazone monohydrate
• Authors of publication: Zou, Wuxin; Yu, Haitao; Meng, Jiben
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o671 - o673
• a: 11.425 ± 0.003 Å
• b: 12.404 ± 0.004 Å
• c: 17.374 ± 0.005 Å
• α: 90°
• β: 106.951 ± 0.005°
• γ: 90°
• Cell volume: 2355.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes