Information card for entry 2226001

Structure parameters

• Chemical name: (<i>E</i>)<i>-N</i>'-(2,3,4-Trimethoxybenzylidene)isonicotinohydrazide
• Formula: C16 H17 N3 O4
• Calculated formula: C16 H17 N3 O4
• SMILES: O=C(N/N=C/c1c(OC)c(OC)c(OC)cc1)c1ccncc1
• Title of publication: (<i>E</i>)<i>-N</i>'-(2,3,4-Trimethoxybenzylidene)isonicotinohydrazide
• 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: o1231 - o1232
• a: 14.246 ± 0.003 Å
• b: 9.397 ± 0.002 Å
• c: 12.098 ± 0.003 Å
• α: 90°
• β: 109.245 ± 0.006°
• γ: 90°
• Cell volume: 1529.1 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0585
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes