Information card for entry 2017570

Structure parameters

• Chemical name: 2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C16 H22 N4 O4
• Calculated formula: C16 H22 N4 O4
• SMILES: O(c1c(OC)cc(cc1)/C=C1/N(C(=NC1=O)N)C)C.O=CN(C)C
• Title of publication: 2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Tvedte, Laura M.; Smith, Kenneth L.; Patterson, Eric V.; Baughman, Russell G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o101 - o103
• a: 11.617 ± 0.003 Å
• b: 17.2235 ± 0.0016 Å
• c: 9.062 ± 0.001 Å
• α: 90°
• β: 111.327 ± 0.01°
• γ: 90°
• Cell volume: 1689 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1884
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes