Information card for entry 2225665

Structure parameters

• Chemical name: 5-(4-Chlorophenyl)-1<i>H</i>-tetrazole
• Formula: C7 H5 Cl N4
• Calculated formula: C7 H5 Cl N4
• Title of publication: 5-(4-Chlorophenyl)-1<i>H</i>-tetrazole
• Authors of publication: Xu, Liang; Gu, Li-Yan; Zhao, Dan-Yu; Wang, Bing; Kang, Ting-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o742
• a: 9.4596 ± 0.0019 Å
• b: 11.437 ± 0.002 Å
• c: 7.2988 ± 0.0015 Å
• α: 90°
• β: 107.91 ± 0.03°
• γ: 90°
• Cell volume: 751.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes