Information card for entry 8100379

Structure parameters

• Formula: C18 H16 N4 O
• Calculated formula: C18 H16 N4 O
• SMILES: O=Cc1ccc(C(Nc2ncccc2)Nc2ncccc2)cc1
• Title of publication: Crystal structure of 4-di(2-pyridinoamino)methylbenzaldehyde, C~18~H~16~N~4~O
• Authors of publication: Zhu, Hai-Liang; Liu, Qiong-Xin; Liu, Xiu-Ying; Yang, Feng; Wang, Zen-Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 3
• Pages of publication: 317 - 318
• a: 10.742 ± 0.0006 Å
• b: 12.7228 ± 0.0007 Å
• c: 11.8769 ± 0.0007 Å
• α: 90°
• β: 105.495 ± 0.001°
• γ: 90°
• Cell volume: 1564.2 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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