Information card for entry 8100101

Structure parameters

• Formula: C22 H21 N5
• Calculated formula: C22 H21 N5
• SMILES: n1(c(nnc1c1ncccc1)c1ncccc1)c1ccc(cc1)C(C)(C)C
• Title of publication: Crystal structure of 4-(4-tert-butylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~22~H~21~N~5~
• Authors of publication: Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 259 - 260
• a: 15.348 ± 0.009 Å
• b: 5.98 ± 0.003 Å
• c: 20.909 ± 0.012 Å
• α: 90°
• β: 102.488 ± 0.009°
• γ: 90°
• Cell volume: 1873.7 ± 1.8 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No