Information card for entry 4506842

Structure parameters

• Formula: C17 H21 Cl N2 S
• Calculated formula: C17 H21 Cl N2 S
• Title of publication: Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?
• Authors of publication: Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 5846
• a: 14.8123 ± 0.0008 Å
• b: 8.317 ± 0.0002 Å
• c: 15.5334 ± 0.0008 Å
• α: 90°
• β: 117.696 ± 0.007°
• γ: 90°
• Cell volume: 1694.37 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.478
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No