Information card for entry 7207517

Structure parameters

• Common name: 4-hydroxybenzenaminium chloride
• Formula: C6 H8 Cl N O
• Calculated formula: C6 H8 Cl N O
• SMILES: [Cl-].Oc1ccc([NH3+])cc1
• Title of publication: Ionized form of acetaminophen with improved compaction properties
• Authors of publication: Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2389
• a: 6.4919 ± 0.0006 Å
• b: 6.1159 ± 0.0006 Å
• c: 16.87 ± 0.0016 Å
• α: 90°
• β: 90.032 ± 0.001°
• γ: 90°
• Cell volume: 669.8 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0228
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No