Information card for entry 2239235

Structure parameters

• Chemical name: <i>N</i>''-(4-Methoxyphenyl)-<i>N</i>,<i>N</i>,<i>N</i>'-trimethyl-<i>N</i>'-phenylguanidine
• Formula: C17 H21 N3 O
• Calculated formula: C17 H21 N3 O
• SMILES: N(C(=N/c1ccc(cc1)OC)/N(C)c1ccccc1)(C)C
• Title of publication: <i>N</i>''-(4-Methoxyphenyl)-<i>N</i>,<i>N</i>,<i>N</i>'-trimethyl-<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: 4
• Pages of publication: o460
• a: 26.691 ± 0.004 Å
• b: 7.5135 ± 0.0007 Å
• c: 19.361 ± 0.002 Å
• α: 90°
• β: 125.412 ± 0.008°
• γ: 90°
• Cell volume: 3164.4 ± 0.7 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: 0.0745
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes