Information card for entry 2004944

Structure parameters

• Chemical name: p-N,N-Dimethylaminobenzaldehyde Isonicotinylhydrazone Monohydrate.
• Formula: C15 H18 N4 O2
• Calculated formula: C15 H18 N4 O2
• SMILES: O=C(NN=Cc1ccc(N(C)C)cc1)c1ccncc1.O
• Title of publication: <i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate
• 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: 6
• Pages of publication: 1505 - 1507
• a: 7.386 ± 0.001 Å
• b: 11.81 ± 0.001 Å
• c: 17.197 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.0789
• Goodness-of-fit parameter for all reflections: 0.928
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No