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Information card for entry 2240098
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| Coordinates | 2240098.cif |
|---|---|
| Structure factors | 2240098.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,5-Dimethylanilinium hydrogen maleate |
|---|---|
| Formula | C12 H15 N O4 |
| Calculated formula | C12 H15 N O4 |
| SMILES | OC(=O)/C=C\C(=O)[O-].[NH3+]c1c(ccc(c1)C)C |
| Title of publication | Crystal structure of 2,5-dimethylanilinium hydrogen maleate |
| Authors of publication | Mathlouthi, Maha; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1183 - o1184 |
| a | 6.7983 ± 0.0017 Å |
| b | 8.515 ± 0.002 Å |
| c | 11.012 ± 0.003 Å |
| α | 108.784 ± 0.008° |
| β | 98.026 ± 0.007° |
| γ | 98.742 ± 0.007° |
| Cell volume | 584.3 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 significantly intense reflections | 0.0421 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240098.cif 2240098.hkl |
| 181320 | 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 2/24/00. |
2240098.cif 2240098.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. |
2240098.cif 2240098.hkl |
| 125878 | 2014-10-26 | cif/ hkl/ Adding structures of 2240098 via cif-deposit CGI script. |
2240098.cif 2240098.hkl |
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Users of the data should acknowledge the original authors of the
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