Information card for entry 2239305

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>'-Trimethyl-<i>N</i>''-(4-nitrophenyl)-<i>N</i>'-phenylguanidine
• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• SMILES: C(=N\c1ccc(cc1)N(=O)=O)(/N(C)C)N(C)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>'-Trimethyl-<i>N</i>''-(4-nitrophenyl)-<i>N</i>'-phenylguanidine
• Authors of publication: Tiritiris, Ioannis; Frey, Wolfgang; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o516 - o517
• a: 18.409 ± 0.002 Å
• b: 7.714 ± 0.0008 Å
• c: 22.493 ± 0.003 Å
• α: 90°
• β: 109.503 ± 0.007°
• γ: 90°
• Cell volume: 3010.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes