Information card for entry 2236882

Structure parameters

• Common name: MgM195
• Chemical name: <i>N</i>-(2-Oxo-2<i>H</i>-chromen-3-yl)cyclohexanecarboxamide
• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: o1c(=O)c(cc2ccccc12)NC(=O)C1CCCCC1
• Title of publication: <i>N</i>-(2-Oxo-2<i>H</i>-chromen-3-yl)cyclohexanecarboxamide
• Authors of publication: Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3447 - o3448
• a: 6.4486 ± 0.0006 Å
• b: 9.6324 ± 0.0011 Å
• c: 11.0837 ± 0.0011 Å
• α: 83.061 ± 0.006°
• β: 89.134 ± 0.005°
• γ: 73.987 ± 0.005°
• Cell volume: 656.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes