Information card for entry 8100335

Structure parameters

• Formula: C21 H19 N3 O2
• Calculated formula: C21 H19 N3 O2
• SMILES: O=C1N(N(C(=O)c2c(n(c(c12)C)c1ccccc1)C)c1ccccc1)C
• Title of publication: Crystal structure of 1,2,3,4-tetrahydro-2,6-diphenyl-3,5,7-trimethyl- 6H-pyrrolo[3,4-d]pyridazine-1,4-dione, C~21~H~19~N~3~O~2~
• Authors of publication: Kochel, Andrzej; Malinka, Wiseław; Redzicka, Aleksandra
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 8.3845 ± 0.001 Å
• b: 23.223 ± 0.0019 Å
• c: 8.8285 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1719 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No