Information card for entry 7108482

Structure parameters

• Common name: fenobam
• Formula: C11 H11 Cl N4 O2
• Calculated formula: C11 H11 Cl N4 O2
• SMILES: Clc1cccc(NC(=O)/N=C/2NC(=O)CN2C)c1
• Title of publication: Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities
• Authors of publication: Sajesh P. Thomas; K. Nagarajan; T. N. Guru Row
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10559
• a: 12.8327 ± 0.0014 Å
• b: 7.6792 ± 0.0014 Å
• c: 11.9725 ± 0.0014 Å
• α: 90°
• β: 101.188 ± 0.009°
• γ: 90°
• Cell volume: 1157.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No