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CIF Information Card
Information card for 2015385
2015384 << 2015385 >> 2015386Preview
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Coordinates |
2015385.cif |
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Structure factors |
2015385.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | Desloratadine |
| Chemical name | 8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine |
| Formula | - C19 H19 Cl N2 - |
| Calculated formula | - C19 H19 Cl N2 - |
| Title of publication | Form I of desloratadine, a tricyclic antihistamine |
| Authors of publication | Prashant M. Bhatt; Gautam R. Desiraju |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o362 - o363 |
| a | 6.9336 ± 0.0012 Å |
| b | 11.998 ± 0.002 Å |
| c | 9.4691 ± 0.0016 Å |
| α | 90° |
| β | 107.365 ± 0.002° |
| γ | 90° |
| Cell volume | 751.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.0334 |
| Residual factor for observed reflections | 0.032 |
| Weighted residual factors for the observed reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for observed reflections | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |