Information card for entry 2204380

Structure parameters

• Common name: Zoxazolamine
• Chemical name: 2-Amino-5-chloro-1,3-benzoxazole
• Formula: C7 H5 Cl N2 O
• Calculated formula: C7 H5 Cl N2 O
• SMILES: o1c(N)nc2cc(Cl)ccc12
• Title of publication: 2-Amino-5-chloro-1,3-benzoxazole
• Authors of publication: Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1715 - o1716
• a: 9.4403 ± 0.0019 Å
• b: 3.739 ± 0.0007 Å
• c: 19.737 ± 0.004 Å
• α: 90°
• β: 101.67 ± 0.03°
• γ: 90°
• Cell volume: 682.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes