Information card for entry 2311555

Structure parameters

• Chemical name: Methyl 2-[5-(2-hydroxyphenyl)-2<i>H</i>-tetrazol-2-yl]acetate
• Formula: C10 H10 N4 O3
• Calculated formula: C10 H10 N4 O3
• Title of publication: Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2<i>H</i>-tetra-zol-2-yl]acetate.
• Authors of publication: Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1971 - 1973
• a: 10.06 ± 0.002 Å
• b: 8.2538 ± 0.0017 Å
• c: 13.536 ± 0.003 Å
• α: 90°
• β: 104.479 ± 0.01°
• γ: 90°
• Cell volume: 1088.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No