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CIF Information Card
Information card for 2015296
2015295 << 2015296 >> 2015297Preview
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Coordinates |
2015296.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | 10,11-dihydrocarbamazepine |
| Chemical name | 10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide |
| Formula | - C15 H14 N2 O - |
| Calculated formula | - C15 H14 N2 O - |
| Title of publication | An orthorhombic polymorph of 10,11-dihydrocarbamazepine |
| Authors of publication | Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o240 - o242 |
| a | 9.0592 ± 0.0004 Å |
| b | 10.3156 ± 0.0005 Å |
| c | 25.0534 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2341.27 ± 0.19 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.0496 |
| Residual factor for observed reflections | 0.0416 |
| Weighted residual factors for the observed reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for observed reflections | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |