Information card for entry 2230035

Structure parameters

• Chemical name: 2-{(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Inden-3-yl)ethyl]iminomethyl}-1<i>H</i>- imidazole
• Formula: C15 H15 N3
• Calculated formula: C15 H15 N3
• SMILES: [nH]1c(ncc1)/C=N/CCC1=CCc2c1cccc2
• Title of publication: 2-{(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Inden-3-yl)ethyl]iminomethyl}-1<i>H</i>-imidazole
• Authors of publication: Li, Zhao; Tian, Chong; Nie, Wanli; Borzov, Maxim V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1165 - o1166
• a: 5.8827 ± 0.0005 Å
• b: 8.3326 ± 0.0007 Å
• c: 51.909 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2544.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes