Information card for entry 2204993

Structure parameters

• Chemical name: 2-(3-Methoxysalicylideneamino)-1H-benzimidazole
• Formula: C15 H13 N3 O2
• Calculated formula: C15 H13 N3 O2
• SMILES: c1(c(c(ccc1)OC)O)/C=N/c1[nH]c2ccccc2n1
• Title of publication: 2-(3-Methoxysalicylideneamino)-1<i>H</i>-benzimidazole
• Authors of publication: Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o425 - o426
• a: 12.545 ± 0.0009 Å
• b: 8.4858 ± 0.0008 Å
• c: 13.2955 ± 0.001 Å
• α: 90°
• β: 111.755 ± 0.006°
• γ: 90°
• Cell volume: 1314.56 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.083
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No