Information card for entry 2227338

Structure parameters

• Common name: Trihexyphenidyl hydrochloride
• Chemical name: 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidinium chloride
• Formula: C20 H32 Cl N O
• Calculated formula: C20 H32 Cl N O
• SMILES: O[C@@](CC[NH+]1CCCCC1)(C1CCCCC1)c1ccccc1.[Cl-]
• Title of publication: Trihexyphenidyl hydrochloride: a powder diffraction study
• Authors of publication: Maccaroni, Elisabetta; Malpezzi, Luciana; Masciocchi, Norberto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2511
• a: 30.0265 ± 0.0008 Å
• b: 11.2297 ± 0.0004 Å
• c: 5.8931 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1987.09 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Goodness-of-fit parameter for all reflections: 9.556
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No