Information card for entry 2003978

Structure parameters

• Chemical name: p-N,N-dimethylaminobenzaldehyde-4,5-diazafluorene-9-hydrazone monohydrate.
• Formula: C20 H19 N5 O
• Calculated formula: C20 H19 N5 O
• SMILES: n1cccc2c1c1ncccc1C2=NN=Cc1ccc(cc1)N(C)C.O
• Title of publication: <i>p</i>-Dimethylaminobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone Monohydrate
• Authors of publication: Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2078 - 2080
• a: 18.25 ± 0.004 Å
• b: 16.424 ± 0.004 Å
• c: 12.639 ± 0.002 Å
• α: 90°
• β: 113.56 ± 0.02°
• γ: 90°
• Cell volume: 3472.6 ± 1.4 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: 0.0681
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.0914
• Goodness-of-fit parameter for all reflections: 0.879
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No