Information card for entry 7212174

Structure parameters

• Common name: Salicylamide
• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• SMILES: NC(=O)c1c(O)cccc1
• Title of publication: High-pressure polymorphism in salicylamide
• Authors of publication: Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1065
• a: 3.8938 ± 0.0004 Å
• b: 5.5612 ± 0.0006 Å
• c: 28.566 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 618.6 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 200000 kPa
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0518
• Diffraction radiation wavelength: 0.4754 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No