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Information card for entry 2019960
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| Coordinates | 2019960.cif |
|---|---|
| Structure factors | 2019960.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[1-(2-Hydroxypropyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]benzoic acid |
|---|---|
| Formula | C25 H22 N2 O3 |
| Calculated formula | C25 H22 N2 O3 |
| SMILES | O=C(O)c1ccc(c2nc(c(n2CC(O)C)c2ccccc2)c2ccccc2)cc1 |
| Title of publication | Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid |
| Authors of publication | Jasinski, Jerry P.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o77 |
| a | 6.871 ± 0.0004 Å |
| b | 10.7188 ± 0.0006 Å |
| c | 14.9178 ± 0.0007 Å |
| α | 103.569 ± 0.004° |
| β | 93.094 ± 0.004° |
| γ | 105.878 ± 0.005° |
| Cell volume | 1019.03 ± 0.1 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 | 0.0574 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019960.cif 2019960.hkl |
| 136888 | 2015-05-18 | cif/ hkl/ Adding structures of 2019960 via cif-deposit CGI script. |
2019960.cif 2019960.hkl |
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Users of the data should acknowledge the original authors of the
structural data.