Information card for entry 2222510

Structure parameters

• Chemical name: 2-(1<i>H</i>-Benzimidazol-1-yl)-1-(2-furyl)ethanone <i>O</i>-ethyloxime
• Formula: C15 H15 N3 O2
• Calculated formula: C15 H15 N3 O2
• SMILES: o1c(/C(=N\OCC)Cn2cnc3ccccc23)ccc1
• Title of publication: 2-(1<i>H</i>-Benzimidazol-1-yl)-1-(2-furyl)ethanone <i>O</i>-ethyloxime
• Authors of publication: Özel Güven, Özden; Erdoğan, Taner; Tahir, M. Nawaz; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1621 - o1622
• a: 8.4448 ± 0.0005 Å
• b: 17.6345 ± 0.0011 Å
• c: 10.3147 ± 0.0006 Å
• α: 90°
• β: 110.755 ± 0.002°
• γ: 90°
• Cell volume: 1436.38 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes