Information card for entry 2023036

Structure parameters

• Chemical name: 2-(2-Azidophenyl)-3-oxo-3<i>H</i>-indole 1-oxide
• Formula: C14 H8 N4 O2
• Calculated formula: C14 H8 N4 O2
• Title of publication: Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3<i>H</i>-indole 1-oxide.
• Authors of publication: Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 3
• Pages of publication: 310 - 313
• a: 7.166 ± 0.002 Å
• b: 7.686 ± 0.003 Å
• c: 12.172 ± 0.004 Å
• α: 95.473 ± 0.016°
• β: 105.226 ± 0.012°
• γ: 113.116 ± 0.013°
• Cell volume: 579.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0568
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes