Information card for entry 8106560

Structure parameters

• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• Title of publication: Crystal structure of methyl 1H-indole-2-carboxylate, C10H9NO2
• Authors of publication: Almutairi, Maha S.; Ghabbour, Hazem A.; Attia, Mohamed I.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 431 - 432
• a: 5.6463 ± 0.0006 Å
• b: 21.47 ± 0.003 Å
• c: 7.3961 ± 0.0009 Å
• α: 90°
• β: 112.015 ± 0.004°
• γ: 90°
• Cell volume: 831.23 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No