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Information card for entry 2204993
Preview
| Coordinates | 2204993.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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