Information card for entry 2239452

Structure parameters

• Chemical name: 5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine
• Formula: C24 H22 N4 O3
• Calculated formula: C24 H22 N4 O3
• SMILES: CO/N=C(c1ccccc1COc1ccccc1C)/c1nnc(o1)Nc1ccccc1
• Title of publication: 5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine
• Authors of publication: Sharma, Devinder K.; Shripanavar, Chetan S.; Anthal, Sumati; Gupta, Vivek K.; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o357 - o358
• a: 7.0629 ± 0.0004 Å
• b: 12.5553 ± 0.0009 Å
• c: 13.3705 ± 0.0011 Å
• α: 68.321 ± 0.007°
• β: 83.678 ± 0.006°
• γ: 78.567 ± 0.006°
• Cell volume: 1079.04 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes