Information card for entry 2224058

Structure parameters

• Common name: nicotinohydrazide
• Chemical name: <i>N</i>'-(3-Phenylallylidene)nicotinohydrazide monohydrate
• Formula: C15 H15 N3 O2
• Calculated formula: C15 H15 N3 O2
• SMILES: O=C(NN=CC=Cc1ccccc1)c1cnccc1.O
• Title of publication: <i>N</i>'-(3-Phenylallylidene)nicotinohydrazide monohydrate
• Authors of publication: Archana, R.; Saradhadevi, N.; Manimekalai, A.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2833
• a: 9.8456 ± 0.0003 Å
• b: 9.1288 ± 0.0003 Å
• c: 15.5389 ± 0.0005 Å
• α: 90°
• β: 95.938 ± 0.003°
• γ: 90°
• Cell volume: 1389.12 ± 0.08 ų
• Cell temperature: 110 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: 0.0496
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes