Information card for entry 2235485

Structure parameters

• Chemical name: (2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: O=C(N/N=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: (2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide from synchrotron radiation
• Authors of publication: Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2255 - o2256
• a: 11.473 ± 0.019 Å
• b: 7.507 ± 0.013 Å
• c: 30.5 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2627 ± 8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.6943 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes