Information card for entry 2003533

Structure parameters

• Formula: C16 H15 Br N2 O2
• Calculated formula: C16 H15 Br N2 O2
• SMILES: Brc1cc2C(=O)N(C(=O)c3cccc(c1N)c23)CCCC
• Title of publication: Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)
• Authors of publication: Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1189 - 1193
• a: 4.514 ± 0.002 Å
• b: 24.87 ± 0.01 Å
• c: 13.054 ± 0.004 Å
• α: 90°
• β: 97.41 ± 0.03°
• γ: 90°
• Cell volume: 1453.2 ± 1 ų
• Cell temperature: 288 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0951
• Goodness-of-fit parameter for significantly intense reflections: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No