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Information card for entry 2019718
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| Coordinates | 2019718.cif |
|---|---|
| Structure factors | 2019718.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazole |
|---|---|
| Formula | C16 H12 N2 O2 |
| Calculated formula | C16 H12 N2 O2 |
| Title of publication | Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies |
| Authors of publication | Geiger, David K.; Geiger, H. Cristina; Deck, Jared M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| a | 9.3916 ± 0.0017 Å |
| b | 12.398 ± 0.002 Å |
| c | 11.313 ± 0.002 Å |
| α | 90° |
| β | 105.216 ± 0.006° |
| γ | 90° |
| Cell volume | 1271.1 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019718.cif 2019718.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019718.cif 2019718.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019718.cif 2019718.hkl |
| 126569 | 2014-11-07 | cif/ hkl/ Adding structures of 2019718, 2019719, 2019720 via cif-deposit CGI script. |
2019718.cif 2019718.hkl |
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Users of the data should acknowledge the original authors of the
structural data.