Information card for entry 2237875

Structure parameters

• Chemical name: 4-Hydroxy-<i>N</i>-methylbenzamide
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: CNC(=O)c1ccc(cc1)O
• Title of publication: 4-Hydroxy-<i>N</i>-methylbenzamide
• Authors of publication: Jasinski, Jerry P.; St. John, Joel P.; Butcher, Ray J.; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o738
• a: 13.576 ± 0.003 Å
• b: 16.964 ± 0.003 Å
• c: 11.025 ± 0.002 Å
• α: 90°
• β: 120.11 ± 0.03°
• γ: 90°
• Cell volume: 2196.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes