Information card for entry 2210689

Structure parameters

• Chemical name: Bis(2-hydroxy-1-naphthaldehyde) oxaloyldihydrazone dihydrate
• Formula: C24 H22 N4 O6
• Calculated formula: C24 H22 N4 O6
• SMILES: O=C(C(=O)N/N=C/c1c(O)ccc2c1cccc2)N/N=C/c1c(O)ccc2c1cccc2.O.O
• Title of publication: Bis(2-hydroxy-1-naphthaldehyde) oxaloyldihydrazone dihydrate
• Authors of publication: Zhu, Li-Na; Li, Chang-Qing; Li, Xiao-Zeng; Li, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4603 - o4605
• a: 13.678 ± 0.004 Å
• b: 5.925 ± 0.0018 Å
• c: 14.883 ± 0.005 Å
• α: 90°
• β: 114.983 ± 0.005°
• γ: 90°
• Cell volume: 1093.3 ± 0.6 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: 0.1017
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes