Information card for entry 2009729

Structure parameters

• Formula: C13 H10 Cl N3 O
• Calculated formula: C13 H10 Cl N3 O
• SMILES: Clc1ccc2c(c1)nn(n2)c1cc(C)ccc1O
• Title of publication: 2-(2-Hydroxy-5-methylphenyl)-5-chlorobenzotriazole, C~13~H~10~ClN~3~O
• Authors of publication: Lewanowicz, A.; Baert, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 801 - 803
• a: 11.222 ± 0.005 Å
• b: 3.917 ± 0.003 Å
• c: 26.949 ± 0.007 Å
• α: 90°
• β: 98.8 ± 0.4°
• γ: 90°
• Cell volume: 1170.6 ± 1.7 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 6.25
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No