Information card for entry 2101534

Structure parameters

• 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 ų
• 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