Information card for entry 2222268

Structure parameters

• Chemical name: 2-(1<i>H</i>-Benzimidazol-1-yl)-1-(2-furyl)ethanone <i>O</i>-propyloxime
• Formula: C16 H17 N3 O2
• Calculated formula: C16 H17 N3 O2
• SMILES: o1c(/C(=N\OCCC)Cn2cnc3ccccc23)ccc1
• Title of publication: 2-(1<i>H</i>-Benzimidazol-1-yl)-1-(2-furyl)ethanone <i>O</i>-propyloxime
• Authors of publication: Özel Güven, Özden; Erdoğan, Taner; Coles, Simon J.; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1517 - o1518
• a: 8.4164 ± 0.0002 Å
• b: 18.2524 ± 0.0003 Å
• c: 10.2246 ± 0.0002 Å
• α: 90°
• β: 111.354 ± 0.001°
• γ: 90°
• Cell volume: 1462.87 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes