Information card for entry 2243743

Structure parameters

• Chemical name: 4-{[(<i>E</i>)-(7-Methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one
• Formula: C20 H19 N3 O4
• Calculated formula: C20 H19 N3 O4
• SMILES: O(c1cc(cc2OCOc12)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1)C
• Title of publication: Synthesis and structure of 4-{[(<i>E</i>)-(7-methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one
• Authors of publication: Arderne, Charmaine; Fotsing, Marthe Carine Djuide; Ndinteh, Derek Tantoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 200 - 203
• a: 33.888 ± 0.004 Å
• b: 14.9497 ± 0.0018 Å
• c: 8.2021 ± 0.001 Å
• α: 90°
• β: 94.447 ± 0.004°
• γ: 90°
• Cell volume: 4142.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1126
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes