Information card for entry 2222494

Structure parameters

• Common name: nicotinohydrazide
• Chemical name: <i>N</i>'-(2-Methyl-3-phenylallylidene)nicotinohydrazide monohydrate
• Formula: C16 H17 N3 O2
• Calculated formula: C16 H17 N3 O2
• SMILES: O=C(NN=CC(=Cc1ccccc1)C)c1cnccc1.O
• Title of publication: <i>N</i>'-(2-Methyl-3-phenylallylidene)nicotinohydrazide monohydrate
• Authors of publication: Archana, R.; Manimekalai, A.; Saradhadevi, N.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1659
• a: 9.6821 ± 0.0004 Å
• b: 9.4178 ± 0.0004 Å
• c: 16.0958 ± 0.0006 Å
• α: 90°
• β: 98.25 ± 0.004°
• γ: 90°
• Cell volume: 1452.49 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes