Information card for entry 2017447

Structure parameters

• Common name: N-((3-nitrophenylamino)methyl)-3-nitrobenzenamine
• Chemical name: <i>N</i>,<i>N</i>'-bis(3-nitrophenyl)methanediamine
• Formula: C13 H12 N4 O4
• Calculated formula: C13 H12 N4 O4
• Title of publication: Double anomeric effects and a hydrogen-bonded supramolecular motif in <i>N</i>,<i>N</i>'-bis(3-nitrophenyl)methanediamine
• Authors of publication: Zhang, Zhenfeng; Wang, Siqian; Zhang, Guisheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o615 - o617
• a: 24.517 ± 0.006 Å
• b: 4.0505 ± 0.0011 Å
• c: 16.222 ± 0.004 Å
• α: 90°
• β: 127.924 ± 0.002°
• γ: 90°
• Cell volume: 1270.8 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes