Information card for entry 1543726

Structure parameters

• Chemical name: Ethyl 2-[(azidocarbonyl)amino]benzoate
• Formula: C10 H10 N4 O3
• Calculated formula: C10 H10 N4 O3
• SMILES: O=C(OCC)c1c(NC(=O)N=N#N)cccc1
• Title of publication: Ethyl 2-[(azidocarbonyl)amino]benzoate
• Authors of publication: Yassine, Hasna; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161155
• a: 9.33 ± 0.006 Å
• b: 18.724 ± 0.004 Å
• c: 13.484 ± 0.003 Å
• α: 90°
• β: 102.898 ± 0.008°
• γ: 90°
• Cell volume: 2296.2 ± 1.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.0975
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes