Information card for entry 2004787

Structure parameters

• Chemical name: p-Methoxybenzaldehyde Nictonylhydrazone Dihydrate.
• Formula: C14 H17 N3 O4
• Calculated formula: C14 H17 N3 O4
• SMILES: O=C(NN=Cc1ccc(OC)cc1)c1cccnc1.O.O
• Title of publication: <i>p</i>-Methoxybenzaldehyde Nicotinoylhydrazone Dihydrate
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 986 - 988
• a: 7.162 ± 0.001 Å
• b: 20.033 ± 0.002 Å
• c: 10.611 ± 0.001 Å
• α: 90°
• β: 107.21 ± 0.01°
• γ: 90°
• Cell volume: 1454.3 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1426
• Weighted residual factors for significantly intense reflections: 0.1345
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No