Information card for entry 7226177

Structure parameters

• Chemical name: methyl (Z)-4-(1H-imidazol-1-yl)-3-((methoxy(phenyl)methylene)amino)benzoate
• Formula: C19 H17 N3 O3
• Calculated formula: C19 H17 N3 O3
• SMILES: O(C)C(=O)c1cc(/N=C(/OC)c2ccccc2)c(n2cncc2)cc1
• Title of publication: Regioselective Synthesis of Imidazo[1,5-a]quinoxalines and Methyl N-Phenylbenzimidats on Ionic Liquid Support
• Authors of publication: Chen, Li-Hsun; Kao, Chih-Hsien; DHOLE, SANDIP; Barve, Indrajeet; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.587 ± 0.002 Å
• b: 10.3387 ± 0.0017 Å
• c: 14.091 ± 0.002 Å
• α: 90°
• β: 101.378 ± 0.004°
• γ: 90°
• Cell volume: 1654.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No