Information card for entry 2224281

Structure parameters

• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• SMILES: O=C(NNC(=O)c1ccccc1)/C=C/c1ccccc1
• Title of publication: <i>N</i>'-[(2<i>E</i>)-3-Phenylprop-2-enoyl]benzohydrazide
• Authors of publication: Carvalho, Samir A.; da Silva, Edson F.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3118
• a: 15.9696 ± 0.0007 Å
• b: 10.4563 ± 0.0005 Å
• c: 8.3162 ± 0.0002 Å
• α: 90°
• β: 102.072 ± 0.003°
• γ: 90°
• Cell volume: 1357.95 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes