Information card for entry 8100537

Structure parameters

• Formula: C18 H14 N6
• Calculated formula: C18 H14 N6
• SMILES: n1ccccc1Nc1nnc(Nc2ncccc2)c2c1cccc2
• Title of publication: Crystal structure of 1,4-di-(2'-pyridyl)aminophthalazine, C~18~H~14~N~6~
• Authors of publication: Balogh-Hergovich, Éva; Speier, G.; Réglier, Marius; Giorgi, Michel
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 61 - 62
• a: 15.142 ± 0.0001 Å
• b: 11.3731 ± 0.0009 Å
• c: 8.8933 ± 0.0004 Å
• α: 90°
• β: 96.641 ± 0.005°
• γ: 90°
• Cell volume: 1521.3 ± 0.2 ų
• Cell temperature: 298 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
• Goodness-of-fit parameter for significantly intense reflections: 2.204
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No