Information card for entry 8100382

Structure parameters

• Formula: C12 H16 N4 O2
• Calculated formula: C12 H16 N4 O2
• Title of publication: Crystal structure of 1,1,5,5-tetramethyl-1,2,5,6-tetrahydro-3a,4,7a, 8-tetraaza-s-indacene-3,7-dione, C~12~H~16~N~4~O~2~
• Authors of publication: Mrozek, Agnieszka; Karolak-Wojciechowska, Janina; Wejroch, Krystyna; Lange, Jerzy
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 3
• Pages of publication: 331 - 332
• a: 9.306 ± 0.002 Å
• b: 5.755 ± 0.001 Å
• c: 11.499 ± 0.002 Å
• α: 90°
• β: 98.15 ± 0.03°
• γ: 90°
• Cell volume: 609.6 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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