Information card for entry 2008828

Structure parameters

• Formula: C11 H10 N4
• Calculated formula: C11 H10 N4
• Title of publication: 1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole
• Authors of publication: Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: IUC9900081
• a: 11.473 ± 0.001 Å
• b: 7.28 ± 0.001 Å
• c: 12.546 ± 0.001 Å
• α: 90 ± 0.001°
• β: 91.02 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 1047.72 ± 0.19 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No