Information card for entry 2006470

Structure parameters

• Chemical name: 3-benzoyl-2-methylindole
• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• SMILES: [nH]1c(c(c2ccccc12)C(=O)c1ccccc1)C
• Title of publication: 3-Benzoyl-2-methylindole
• Authors of publication: M. Paz Martinez-Alcazar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodriguez; Anahi Urrutia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1345 - 1347
• a: 22.822 ± 0.003 Å
• b: 7.667 ± 0.001 Å
• c: 14.697 ± 0.001 Å
• α: 90°
• β: 106.31 ± 0.01°
• γ: 90°
• Cell volume: 2468.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections: 0.1547
• Weighted residual factors for significantly intense reflections: 0.1503
• Goodness-of-fit parameter for all reflections: 1.13
• Goodness-of-fit parameter for significantly intense reflections: 1.203
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No