Information card for entry 2022768

Structure parameters

• Chemical name: (<i>E</i>)-Benzo[<i>d</i>][1,3]dioxole-5-carbaldehyde oxime
• Formula: C8 H7 N O3
• Calculated formula: C8 H7 N O3
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of (<i>E</i>)-benzo[<i>d</i>][1,3]dioxole-5-carbaldehyde oxime.
• Authors of publication: Radhakrishnan, Rengaraj; Mustaphi, Nour El Hoda; Sebbar, Nada Kheira; Mague, Joel T.; Thiruvalluvar, Aravazhi Amalan
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 545 - 548
• a: 6.8724 ± 0.0014 Å
• b: 33.502 ± 0.007 Å
• c: 7.3449 ± 0.0015 Å
• α: 90°
• β: 117.238 ± 0.003°
• γ: 90°
• Cell volume: 1503.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes