Information card for entry 2237463

Structure parameters

• Chemical name: 4-(1<i>H</i>-Tetrazol-5-yl)benzene-1,3-diol
• Formula: C7 H6 N4 O2
• Calculated formula: C7 H6 N4 O2
• SMILES: [nH]1nnnc1c1ccc(O)cc1O
• Title of publication: 4-(1<i>H</i>-Tetrazol-5-yl)benzene-1,3-diol
• Authors of publication: Kim, Youngjo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o380
• a: 16.109 ± 0.002 Å
• b: 7.2931 ± 0.0011 Å
• c: 12.8708 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes