Information card for entry 2008585

Structure parameters

• Common name: melaniline
• Chemical name: N,N' diphenyl guanidine
• Formula: C13 H13 N3
• Calculated formula: C13 H13 N3
• SMILES: N(C(=N\c1ccccc1)/N)c1ccccc1
• Title of publication: A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1037 - 1040
• a: 9.003 ± 0.005 Å
• b: 12.699 ± 0.003 Å
• c: 20.522 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2346.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes