Information card for entry 2225915

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,4,5-Trimethoxybenzylidene)isonicotinohydrazide dihydrate
• Formula: C16 H21 N3 O6
• Calculated formula: C16 H21 N3 O6
• SMILES: O=C(N/N=C/c1c(OC)cc(OC)c(OC)c1)c1ccncc1.O.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,4,5-Trimethoxybenzylidene)isonicotinohydrazide dihydrate
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1235 - o1236
• a: 6.8156 ± 0.0004 Å
• b: 14.5648 ± 0.001 Å
• c: 8.5589 ± 0.0005 Å
• α: 90°
• β: 103.421 ± 0.002°
• γ: 90°
• Cell volume: 826.42 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes