Information card for entry 8100100

Structure parameters

• Formula: C20 H17 N5
• Calculated formula: C20 H17 N5
• SMILES: n1(c(nnc1c1ncccc1)c1ncccc1)c1cc(c(cc1)C)C
• Title of publication: Crystal structure of 4-(3,4-dimethylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~20~H~17~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: 257 - 258
• a: 10.006 ± 0.003 Å
• b: 10.318 ± 0.003 Å
• c: 10.371 ± 0.003 Å
• α: 82.63 ± 0.005°
• β: 62.925 ± 0.005°
• γ: 63.291 ± 0.005°
• Cell volume: 847.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No