Information card for entry 2214915

Structure parameters

• Chemical name: 2-(1H-Benzimidazol-1-yl)-1-phenylethanone oxime
• Formula: C15 H13 N3 O
• Calculated formula: C15 H13 N3 O
• SMILES: ON=C(Cn1c2c(nc1)cccc2)c1ccccc1
• Title of publication: 2-(1<i>H</i>-Benzimidazol-1-yl)-1-phenylethanone oxime
• Authors of publication: Özel Güven, Özden; Erdoğan, Taner; Çaylak, Nagihan; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3463 - o3464
• a: 9.3295 ± 0.0001 Å
• b: 11.2863 ± 0.0002 Å
• c: 12.5962 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1326.32 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes