Information card for entry 2241029

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 3-[2-(5-methyl-7-nitro-1<i>H</i>-indole-2-carbonyl)hydrazinylidene]butanoate
• Formula: C16 H18 N4 O5
• Calculated formula: C16 H18 N4 O5
• SMILES: c1(cc(cc2c1[nH]c(c2)C(=O)N/N=C(C)/CC(=O)OCC)C)N(=O)=O
• Title of publication: Crystal structure of (<i>Z</i>)-ethyl 3-[2-(5-methyl-7-nitro-1<i>H</i>-indole-2-carbonyl)hydrazinylidene]butanoate
• Authors of publication: Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o684 - o685
• a: 8.4716 ± 0.0009 Å
• b: 8.4722 ± 0.0007 Å
• c: 13.0971 ± 0.0009 Å
• α: 108.695 ± 0.004°
• β: 91.865 ± 0.004°
• γ: 106.886 ± 0.004°
• Cell volume: 843.81 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes