Information card for entry 2237996

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(2-aminobenzamide)
• Formula: C17 H20 N4 O2
• Calculated formula: C17 H20 N4 O2
• SMILES: O=C(c1ccccc1N)NCCCNC(=O)c1ccccc1N
• Title of publication: <i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(2-aminobenzamide)
• Authors of publication: Sreedasyam, Jagannatha Swamy; Sunkari, Jyothi; Kundha, Shashank; Gundapaneni, Raghava Rao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o673
• a: 5.659 ± 0.0007 Å
• b: 9.8279 ± 0.0012 Å
• c: 14.6732 ± 0.0018 Å
• α: 95.258 ± 0.002°
• β: 95.263 ± 0.002°
• γ: 98.888 ± 0.002°
• Cell volume: 798.21 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes