Information card for entry 2013558

Structure parameters

• Chemical name: 5-amino-1-phenyltetrazole
• Formula: C7 H7 N5
• Calculated formula: C7 H7 N5
• SMILES: n1(nnnc1N)c1ccccc1
• Title of publication: Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole
• Authors of publication: Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o690 - o693
• a: 11.619 ± 0.003 Å
• b: 7.342 ± 0.002 Å
• c: 18.124 ± 0.003 Å
• α: 90°
• β: 92.202 ± 0.019°
• γ: 90°
• Cell volume: 1545 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1447
• 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