Information card for entry 7211135

Structure parameters

• Common name: Phenacetin hemi hydrochloride
• Formula: C20 H27 Cl N2 O4
• Calculated formula: C20 H27 Cl N2 O4
• Title of publication: Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds
• Authors of publication: Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8941
• a: 26.813 ± 0.005 Å
• b: 5.6138 ± 0.0011 Å
• c: 13.838 ± 0.003 Å
• α: 90°
• β: 90.014 ± 0.002°
• γ: 90°
• Cell volume: 2082.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No