Information card for entry 2003970

Structure parameters

• Chemical name: N-(o-amidophenyl)-1,8-naphthoyleneimide
• Formula: C19 H12 N2 O3
• Calculated formula: C19 H12 N2 O3
• SMILES: O=C1N(C(=O)c2cccc3cccc1c23)c1c(cccc1)C(=O)N
• Title of publication: Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide
• Authors of publication: Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2157 - 2161
• a: 9.354 ± 0.002 Å
• b: 14.13 ± 0.003 Å
• c: 11.923 ± 0.002 Å
• α: 90°
• β: 111.28 ± 0.03°
• γ: 90°
• Cell volume: 1468.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.1194
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No