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Information card for entry 2239501
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| Coordinates | 2239501.cif |
|---|---|
| Structure factors | 2239501.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1-(4-bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole |
|---|---|
| Chemical name | 1-(4-Bromobenzyl)-2-(4-bromophenyl)-1<i>H</i>-benzimidazole |
| Formula | C20 H14 Br2 N2 |
| Calculated formula | C20 H14 Br2 N2 |
| SMILES | Brc1ccc(cc1)Cn1c(nc2c1cccc2)c1ccc(cc1)Br |
| Title of publication | 1-(4-Bromobenzyl)-2-(4-bromophenyl)-1<i>H</i>-benzimidazole |
| Authors of publication | Ma, Hua-Jun; Qu, Zhi-Rong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o610 - o611 |
| a | 9.7537 ± 0.0009 Å |
| b | 10.5758 ± 0.001 Å |
| c | 17.8255 ± 0.0017 Å |
| α | 83.435 ± 0.002° |
| β | 81.702 ± 0.002° |
| γ | 75.621 ± 0.002° |
| Cell volume | 1756.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0782 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239501.cif 2239501.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239501.cif 2239501.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239501.cif 2239501.hkl |
| 111758 | 2014-04-27 | cif/ hkl/ Adding structures of 2239501 via cif-deposit CGI script. |
2239501.cif 2239501.hkl |
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