Information card for entry 7246323

Structure parameters

• Formula: C12 H8 N2 O2
• Calculated formula: C12 H8 N2 O2
• SMILES: O=c1n(c(=O)c2c3c1cccc3ccc2)N
• Title of publication: Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide
• Authors of publication: Sendh, Jagajiban; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 1928 - 1940
• a: 13.296 ± 0.002 Å
• b: 18.408 ± 0.004 Å
• c: 3.7815 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 925.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No