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CIF Information Card
Information card for 2015248
2015247 << 2015248 >> 2015249Preview
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Coordinates |
2015248.cif |
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Structure factors |
2015248.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | N-3,5-dinitrobenzoyl-N'-isonicotinoylhydrazine |
| Formula | - C13 H9 N5 O6 - |
| Calculated formula | - C13 H9 N5 O6 - |
| Title of publication | Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-N'-isonicotinoylhydrazine |
| Authors of publication | Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o222 - o226 |
| a | 7.4534 ± 0.0002 Å |
| b | 22.1762 ± 0.0006 Å |
| c | 8.1006 ± 0.0002 Å |
| α | 90° |
| β | 96.489 ± 0.0016° |
| γ | 90° |
| Cell volume | 1330.35 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0411 |
| Residual factor for observed reflections | 0.0369 |
| Weighted residual factors for the observed reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for observed reflections | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |