Information card for entry 2224656

Structure parameters

• Chemical name: (2<i>E</i>)-<i>N</i>'-Benzoyl-3-(4-nitrophenyl)prop-2-enohydrazide
• Formula: C16 H13 N3 O4
• Calculated formula: C16 H13 N3 O4
• SMILES: O=N(=O)c1ccc(cc1)/C=C/C(=O)NNC(=O)c1ccccc1
• Title of publication: (2<i>E</i>)-<i>N</i>'-Benzoyl-3-(4-nitrophenyl)prop-2-enohydrazide
• Authors of publication: Carvalho, Samir A.; da Silva, Edson F.; de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o150 - o151
• a: 6.8263 ± 0.0002 Å
• b: 9.6483 ± 0.0003 Å
• c: 10.8571 ± 0.0003 Å
• α: 95.535 ± 0.002°
• β: 102.701 ± 0.002°
• γ: 91.728 ± 0.002°
• Cell volume: 693.35 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes