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Information card for entry 2243657
Preview
| Coordinates | 2243657.cif |
|---|---|
| Structure factors | 2243657.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(2-Methoxyphenyl)piperazin-1-ium hydrogen fumarate |
|---|---|
| Formula | C15 H20 N2 O5 |
| Calculated formula | C15 H20 N2 O5 |
| Title of publication | Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions |
| Authors of publication | Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 11 |
| Pages of publication | 1779 - 1793 |
| a | 7.8546 ± 0.0004 Å |
| b | 8.9626 ± 0.0006 Å |
| c | 11.2056 ± 0.0008 Å |
| α | 79.043 ± 0.005° |
| β | 87.715 ± 0.005° |
| γ | 85.84 ± 0.005° |
| Cell volume | 772.15 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258663 (current) | 2020-10-31 | cif/ hkl/ Adding structures of 2243644, 2243645, 2243646, 2243647, 2243648, 2243649, 2243650, 2243651, 2243652, 2243653, 2243654, 2243655, 2243656, 2243657, 2243658 via cif-deposit CGI script. |
2243657.cif 2243657.hkl |
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Users of the data should acknowledge the original authors of the
structural data.