Information card for entry 4020987

Structure parameters

• Formula: C17 H12 N4
• Calculated formula: C17 H12 N4
• SMILES: N(c1ncccc1)(c1ncccc1)c1ccc(cc1)C#N
• Title of publication: Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
• Authors of publication: Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3517 - 3525
• a: 12.169 ± 0.003 Å
• b: 11.465 ± 0.003 Å
• c: 10.149 ± 0.003 Å
• α: 90°
• β: 95.42 ± 0.005°
• γ: 90°
• Cell volume: 1409.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No