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Information card for entry 2240297
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| Coordinates | 2240297.cif |
|---|---|
| Structure factors | 2240297.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>'-(2,6-Dimethylphenyl)benzenecarboximidamide tetrahydrofuran monosolvate |
|---|---|
| Formula | C19 H24 N2 O |
| Calculated formula | C19 H24 N2 O |
| SMILES | N(=C(N)\c1ccccc1)/c1c(cccc1C)C.C1CCCO1 |
| Title of publication | Crystal structure of <i>N</i>'-(2,6-dimethylphenyl)benzenecarboximidamide tetrahydrofuran monosolvate |
| Authors of publication | Zhao, Jian-Ping; Liu, Rui-Qin; Jiang, Zhi-Hao; Bai, Sheng-Di |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o28 - o29 |
| a | 10.075 ± 0.004 Å |
| b | 14.549 ± 0.006 Å |
| c | 24.208 ± 0.008 Å |
| α | 90° |
| β | 90.662 ± 0.008° |
| γ | 90° |
| Cell volume | 3548 ± 2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1431 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240297.cif 2240297.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240297.cif 2240297.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240297.cif 2240297.hkl |
| 128727 | 2014-12-14 | cif/ hkl/ Adding structures of 2240297 via cif-deposit CGI script. |
2240297.cif 2240297.hkl |
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Users of the data should acknowledge the original authors of the
structural data.