Information card for entry 1519190

Structure parameters

• Common name: Pethidine hydrochloride
• Chemical name: 4-carbethoxy-1-methyl-4-phenylpiperdine hydrochloride
• Formula: C15 H22 Cl N O2
• Calculated formula: C15 Cl N O2
• Title of publication: Analgetics: Part I. The crystal structure of pethidine hydrochloride, 4-carbethoxy-1-methyl-4-phenylpiperdine hydrochloride, C15H21NO2.HCl
• Authors of publication: Tillack, JV; Seccombe, RC; Kennard, CHL; Oh, PWT
• Journal of publication: Recueil des Travaux Chimiques des Pays-Bas
• Year of publication: 1974
• Journal volume: 93
• Journal issue: 6
• Pages of publication: 164 - 165
• a: 22.62 ± 0.02 Å
• b: 11.53 ± 0.01 Å
• c: 11.83 ± 0.01 Å
• α: 90°
• β: 90 ± 0.05°
• γ: 90°
• Cell volume: 3085 ± 5 ų
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No