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Information card for entry 2244124
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| Coordinates | 2244124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-(2-Methoxyphenyl)piperazinium 3,5-dintrosalicylate |
|---|---|
| Chemical name | 4-(2-Methoxyphenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate |
| Formula | C18 H20 N4 O8 |
| Calculated formula | C18 H20 N4 O8 |
| Title of publication | Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate |
| Authors of publication | Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 8 |
| a | 7.3729 ± 0.0006 Å |
| b | 8.4842 ± 0.0007 Å |
| c | 15.5411 ± 0.0013 Å |
| α | 88.954 ± 0.004° |
| β | 81.333 ± 0.004° |
| γ | 89.352 ± 0.003° |
| Cell volume | 960.85 ± 0.14 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 | 0.1005 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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