Information card for entry 2204754

Structure parameters

• Chemical name: N-Cyclohexyl-2-oxo-2H-1-benzopyran-3-carboxamide
• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: o1c(=O)c(cc2ccccc12)C(=O)NC1CCCCC1
• Title of publication: <i>N</i>-Cyclohexyl-2-oxo-2<i>H</i>-1-benzopyran-3-carboxamide
• Authors of publication: Nancy E. Magaña-Vergara; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez; Herbert Höpfl; Efrén V. García-Báez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2306 - o2308
• a: 6.087 ± 0.0014 Å
• b: 9.529 ± 0.002 Å
• c: 12.021 ± 0.003 Å
• α: 93.682 ± 0.004°
• β: 96.977 ± 0.004°
• γ: 103.543 ± 0.004°
• Cell volume: 669.7 ± 0.3 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: 0.066
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes