Information card for entry 2226557

Structure parameters

• Chemical name: <i>N</i>-[4-(Dimethylamino)benzylidene]-3,4-dimethylisoxazol-5-amine
• Formula: C14 H17 N3 O
• Calculated formula: C14 H17 N3 O
• SMILES: o1nc(c(c1/N=C/c1ccc(N(C)C)cc1)C)C
• Title of publication: <i>N</i>-[4-(Dimethylamino)benzylidene]-3,4-dimethylisoxazol-5-amine
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1783
• a: 6.5772 ± 0.0006 Å
• b: 9.1246 ± 0.0009 Å
• c: 10.538 ± 0.001 Å
• α: 92.995 ± 0.001°
• β: 95.183 ± 0.001°
• γ: 90.873 ± 0.001°
• Cell volume: 628.86 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes