Information card for entry 7219558

Structure parameters

• Formula: C9 H10 N4
• Calculated formula: C9 H10 N4
• SMILES: n1c([nH]nn1)Cc1c(cccc1)C
• Title of publication: Synthetic application of gold nano particles and auric chloride for the synthesis of 5-substituted 1-H tetrazoles
• Authors of publication: Kumar, Satyanand; Kumar, Arvind; Agarwal, Alka; Awasthi, Satish Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.8232 ± 0.0008 Å
• b: 11.9434 ± 0.0014 Å
• c: 9.8716 ± 0.0009 Å
• α: 90°
• β: 96.825 ± 0.008°
• γ: 90°
• Cell volume: 915.82 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No