Information card for entry 2240499

Structure parameters

• Chemical name: Ethyl 2-(1<i>H</i>-benzimidazol-2-yl)-2-[2-(4-nitrophenyl)hydrazinylidene]acetate
• Formula: C17 H15 N5 O4
• Calculated formula: C17 H15 N5 O4
• SMILES: C(=N\Nc1ccc(cc1)N(=O)=O)(\c1nc2ccccc2[nH]1)C(=O)OCC
• Title of publication: Crystal structure of ethyl 2-(1<i>H</i>-benzimidazol-2-yl)-2-[2-(4-nitrophenyl)hydrazinylidene]acetate
• Authors of publication: Loughzail, Mohamed; Baouid, Abdesselam; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o236 - o237
• a: 12.877 ± 0.005 Å
• b: 5.874 ± 0.005 Å
• c: 21.988 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.06 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1642.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes