Information card for entry 7150200

Structure parameters

• Chemical name: 8-(Dimethylamino)-N-phenyl-1-naphthamide
• Formula: C19 H18 N2 O
• Calculated formula: C19 H18 N2 O
• SMILES: O=C(Nc1ccccc1)c1cccc2cccc(N(C)C)c12
• Title of publication: Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.
• Authors of publication: O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 18
• Pages of publication: 3273 - 3283
• a: 9.377 ± 0.0002 Å
• b: 9.7055 ± 0.0002 Å
• c: 16.7953 ± 0.0003 Å
• α: 90°
• β: 91.3607 ± 0.0012°
• γ: 90°
• Cell volume: 1528.08 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No