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Information card for entry 2101534
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| Coordinates | 2101534.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,2,3,4,10,14b-Hexahydro-2-methyldibenzo[c,f]pyrizino [1,2-a]azepine hydrochloride (Mianserin.HCl) |
|---|---|
| Formula | C18 H21 Cl N2 |
| Calculated formula | C18 H21 Cl N2 |
| Title of publication | Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes |
| Authors of publication | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 3 |
| Pages of publication | 509 - 518 |
| a | 9.014 ± 0.002 Å |
| b | 14.917 ± 0.002 Å |
| c | 12.412 ± 0.002 Å |
| α | 90° |
| β | 108.84 ± 0.01° |
| γ | 90° |
| Cell volume | 1579.5 ± 0.5 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Goodness-of-fit parameter for significantly intense reflections | 1.61 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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