Information card for entry 7203258

Structure parameters

• Common name: (C9H10N2O2)6.(C4H10O)
• Chemical name: o-Acetamidobenzamide 1-butanol solvate (6/1)
• Formula: C9.67 H11.67 N2 O2.17
• Calculated formula: C9.66667 H11.6667 N2 O2.16667
• SMILES: c1(c(cccc1)C(=O)N)NC(=O)C.C(CCC)O
• Title of publication: The solvates of o-acetamidobenzamide
• Authors of publication: Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 313
• a: 9.145 ± 0.006 Å
• b: 18.334 ± 0.012 Å
• c: 19.059 ± 0.012 Å
• α: 67.29 ± 0.01°
• β: 86.635 ± 0.011°
• γ: 81.875 ± 0.011°
• Cell volume: 2918 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1938
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2394
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No