Information card for entry 7203257

Structure parameters

• Common name: (C9H10N2O2)6.(C3H8O)
• Chemical name: o-Acetamidobenzamide 1-propanol solvate (6/1)
• Formula: C9.5 H11.33 N2 O2.17
• Calculated formula: C9.5 H11.3333 N2 O2.16667
• SMILES: c1(c(cccc1)C(=O)N)NC(=O)C.OCCC
• 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: 9.604 ± 0.0009 Å
• b: 17.5606 ± 0.0016 Å
• c: 18.3598 ± 0.0017 Å
• α: 72.468 ± 0.002°
• β: 86.767 ± 0.002°
• γ: 75.422 ± 0.002°
• Cell volume: 2856.9 ± 0.5 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: 0.122
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No