Information card for entry 2225919

Structure parameters

• Chemical name: 4-Nitro-<i>N'</i>-[(1<i>E</i>,2<i>E</i>)-3-phenylprop-2-en-1- ylidene]benzohydrazide
• Formula: C16 H13 N3 O3
• Calculated formula: C16 H13 N3 O3
• SMILES: O=N(=O)c1ccc(cc1)C(=O)N/N=C/C=C/c1ccccc1
• Title of publication: 4-Nitro-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-phenylprop-2-en-1-ylidene]benzohydrazide
• Authors of publication: Ahmad, Tanveer; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Mahmud, Shahid; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1022
• a: 16.4236 ± 0.0017 Å
• b: 5.336 ± 0.0005 Å
• c: 17.1073 ± 0.0018 Å
• α: 90°
• β: 114.578 ± 0.005°
• γ: 90°
• Cell volume: 1363.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes