Information card for entry 1543276

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate
• Formula: C14 H15 N3 O2
• Calculated formula: C14 H15 N3 O2
• SMILES: O=C(N/N=C/c1ccc(cc1)C)c1ccncc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate
• Authors of publication: Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160752
• a: 6.3268 ± 0.0008 Å
• b: 7.2868 ± 0.001 Å
• c: 28.272 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes