Information card for entry 7203256

Structure parameters

• Common name: (C9H10N2O2)6.(CHCl3)
• Chemical name: o-Acetamidobenzamide Chloroform (6/1)
• Formula: C9.17 H10.17 Cl0.5 N2 O2
• Calculated formula: C9.16667 H10.1667 Cl0.5 N2 O2
• SMILES: c1(c(cccc1)C(=O)N)NC(=O)C.C(Cl)(Cl)Cl
• 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: 21.91 ± 0.002 Å
• b: 21.91 Å
• c: 20.559 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8547.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No