Information card for entry 2227293

Structure parameters

• Chemical name: 4-(1<i>H</i>-tetrazol-5-yl)-1<i>H</i>-indole
• Formula: C9 H7 N5
• Calculated formula: C9 H7 N5
• SMILES: c1(c2c3cc[nH]c3ccc2)[nH]nnn1
• Title of publication: 4-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole
• Authors of publication: Ge, Yu-Hua; Han, Pei; Wei, Ping; Ou-yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2390
• a: 9.6535 ± 0.0007 Å
• b: 9.8444 ± 0.0004 Å
• c: 9.9672 ± 0.0007 Å
• α: 83.204 ± 0.003°
• β: 65.712 ± 0.006°
• γ: 87.627 ± 0.003°
• Cell volume: 857.28 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes